Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK419214
SMILES COc1ccc(cc1)/C=C/C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2
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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 C23H27NO4S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO4S/c1-15(2)28-23(26)21-18-7-5-4-6-8-19(18)29-22(21)24-20(25)14-11-16-9-12-17(27-3)13-10-16/h9-15H,4-8H2,1-3H3,(H,24,25)/b14-11+InChIKey
CRKAFBPJFMTFSW-SDNWHVSQSA-NSynonyms
CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC3=CC=C(C=C3)OC
COc1ccc(cc1)C=CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2
InChI=1SC23H27NO4Sc115(2)2823(26)21187546819(18)2922(21)2420(25)14111691217(273)131016h915H48H213H3(H2425)b1411+
MFCD01356811
propan2yl2(((2E)3(4methoxyphenyl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propan2yl2(((E)3(4methoxyphenyl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000002083740
ZINC02083740
ZINC2083740
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