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-[1-(methylsulfonyl)piperidin-4-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561570
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC1CCN(CC1)S(=O)(=O)C
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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 C34H41ClN2O12S MW 737.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41ClN2O12S/c1-17-12-21(38)27(32(40)34(17)33(41)28-22(44-2)16-23(45-3)29(35)31(28)49-34)20(18-13-24(46-4)30(48-6)25(14-18)47-5)15-26(39)36-19-8-10-37(11-9-19)50(7,42)43/h13-14,16-17,19-20,40H,8-12,15H2,1-7H3,(H,36,39)/t17-,20?,34+/m1/s1InChIKey
XENCZPMYDGMNTA-LFPJNOHCSA-NSynonyms
145704927
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(1(methylsulfonyl)piperidin4yl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(1methylsulfonylpiperidin4yl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(1(methylsulfonyl)piperidin4yl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC1CCN(CC1)S(=O)(=O)C
InChI=1SC34H41ClN2O12Sc1171221(38)27(32(40)34(17)33(41)2822(442)1623(453)29(35)31(28)4934)20(181324(464)30(486)25(1418)475)1526(39)361981037(11919)50(742)43h13141617192040H81215H217H3(H3639)t1720?34+m1s1
MFCD32650635
ZINC001848443143
ZINC001848443144
Check stock
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