Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-(2-{[1-(methoxymethyl)-1H-1,2,4-triazol-5-yl]amino}ethyl)-3-[4-(methylsulfanyl)phenyl]propanamide
Catalog ID
STL552453
SMILES COCn1ncnc1NCCNC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H36ClN5O8S MW 686.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36ClN5O8S/c1-17-12-21(39)25(29(41)32(17)30(42)26-22(44-3)14-23(45-4)27(33)28(26)46-32)20(18-6-8-19(47-5)9-7-18)13-24(40)34-10-11-35-31-36-15-37-38(31)16-43-2/h6-9,14-15,17,20,41H,10-13,16H2,1-5H3,(H,34,40)(H,35,36,37)/t17-,20?,32+/m1/s1InChIKey
WIZRSYRUSFVYJZ-GJMLFNGQSA-NSynonyms
135640686
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2((1(methoxymethyl)1H124triazol5yl)amino)ethyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2((2(methoxymethyl)124triazol3yl)amino)ethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2((1(METHOXYMETHYL)1H124TRIAZOL5YL)AMINO)ETHYL)3(4(METHYLSULFANYL)PHE
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2((1(methoxymethyl)1H124triazol5yl)amino)ethyl)3(4(methylsulfanyl)phenyl)propanamide
COCn1ncnc1NCCNC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC
InChI=1SC32H36ClN5O8Sc1171221(39)25(29(41)32(17)30(42)2622(443)1423(454)27(33)28(26)4632)20(186819(475)9718)1324(40)341011353136153738(31)16432h691415172041H101316H215H3(H3440)(H353637)t1720?32+m1s1
ZINC001547138930
ZINC001547138932
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