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]-3-[4-(methylsulfanyl)phenyl]-N-{2-[(1-methyl-1H-1,2,4-triazol-5-yl)amino]ethyl}propanamide
Catalog ID
STL551952
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNc1ncnn1C
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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 C31H34ClN5O7S MW 656.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34ClN5O7S/c1-16-12-20(38)24(28(40)31(16)29(41)25-21(42-3)14-22(43-4)26(32)27(25)44-31)19(17-6-8-18(45-5)9-7-17)13-23(39)33-10-11-34-30-35-15-36-37(30)2/h6-9,14-16,19,40H,10-13H2,1-5H3,(H,33,39)(H,34,35,36)/t16-,19?,31+/m1/s1InChIKey
QLFGESWKPXCALK-AVRNFOCNSA-NSynonyms
135640272
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2((1methyl1H124triazol5yl)amino)ethyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(2((2methyl124triazol3yl)amino)ethyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4(METHYLSULFANYL)PHENYL)N(2((1METHYL1H124TRIAZOL5YL)AMINO)ETHYL)PROPA
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(2((1methyl1H124triazol5yl)amino)ethyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNc1ncnn1C
InChI=1SC31H34ClN5O7Sc1161220(38)24(28(40)31(16)29(41)2521(423)1422(434)26(32)27(25)4431)19(176818(455)9717)1323(39)331011343035153637(30)2h6914161940H1013H215H3(H3339)(H343536)t1619?31+m1s1
ZINC001547139461
ZINC001547139462
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