Vitas-M small molecule compound
methyl 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK419706
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)(C)C)sc2c1CCCCCC2
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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 C25H31NO3S MW 425.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO3S/c1-25(2,3)18-14-11-17(12-15-18)13-16-21(27)26-23-22(24(28)29-4)19-9-7-5-6-8-10-20(19)30-23/h11-16H,5-10H2,1-4H3,(H,26,27)/b16-13+InChIKey
CDUJGJPCYCSCMQ-DTQAZKPQSA-NSynonyms
445286-27-1445286271
CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
COC(=O)c1c(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c1CCCCCC2
InChI=1SC25H31NO3Sc125(23)18141117(121518)131621(27)262322(24(28)294)19975681020(19)3023h1116H510H214H3(H2627)b1613+
methyl2(((2E)3(4tertbutylphenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(((E)3(4tertbutylphenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD02371900
ZINC000002753053
ZINC02753053
ZINC2753053
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