Vitas-M small molecule compound
methyl 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK446805
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)/C=C/c1ccc(c(c1)OC)OC
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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 C23H27NO5S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO5S/c1-5-14-6-9-16-19(13-14)30-22(21(16)23(26)29-4)24-20(25)11-8-15-7-10-17(27-2)18(12-15)28-3/h7-8,10-12,14H,5-6,9,13H2,1-4H3,(H,24,25)/b11-8+InChIKey
NROFGXZMPOHVAU-DHZHZOJOSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=CC(=C(C=C3)OC)OC
CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)C=Cc1ccc(c(c1)OC)OC
InChI=1SC23H27NO5Sc1514691619(1314)3022(21(16)23(26)294)2420(25)1181571017(272)18(1215)283h78101214H56913H214H3(H2425)b118+
methyl2(((2E)3(34dimethoxyphenyl)prop2enoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(34dimethoxyphenyl)prop2enoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
MFCD01336955
ZINC000000650186
ZINC000000650188
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