Vitas-M small molecule compound
2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Catalog ID
STK788677
SMILES COc1ccc(cc1)C1C(=C(SCC(=O)NCCc2ccc(c(c2)OC)OC)NC2=C1C(=O)CC(C2)(C)C)C#N
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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 C31H35N3O5S MW 561.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O5S/c1-31(2)15-23-29(24(35)16-31)28(20-7-9-21(37-3)10-8-20)22(17-32)30(34-23)40-18-27(36)33-13-12-19-6-11-25(38-4)26(14-19)39-5/h6-11,14,28,34H,12-13,15-16,18H2,1-5H3,(H,33,36)InChIKey
SHXSSBMEAVHQQA-UHFFFAOYSA-NSynonyms
1192805-14-31192805143
2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(2(34dimethoxyphenyl)ethyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)N(34dimethoxyphenethyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(2(34dimethoxyphenyl)ethyl)acetamide
CC1(CC2=C(C(C(=C(N2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C
InChI=1SC31H35N3O5Sc131(2)152329(24(35)1631)28(207921(373)10820)22(1732)30(3423)401827(36)3313121961125(384)26(1419)395h611142834H1213151618H215H3(H3336)
MFCD13372270
ZINC000101671569
ZINC000101671573
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