Vitas-M small molecule compound
methyl 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK418645
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)(C)C)sc2c1CCC(C2)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 C24H29NO3S MW 411.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO3S/c1-15-6-12-18-19(14-15)29-22(21(18)23(27)28-5)25-20(26)13-9-16-7-10-17(11-8-16)24(2,3)4/h7-11,13,15H,6,12,14H2,1-5H3,(H,25,26)/b13-9+InChIKey
KELYSTMFLBNPEL-UKTHLTGXSA-NSynonyms
540794-46-5540794465
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=CC=C(C=C3)C(C)(C)C
COC(=O)c1c(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c1CCC(C2)C
InChI=1SC24H29NO3Sc1156121819(1415)2922(21(18)23(27)285)2520(26)1391671017(11816)24(23)4h7111315H61214H215H3(H2526)b139+
methyl2(((2E)3(4tertbutylphenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(4tertbutylphenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD01920427
ZINC000002745518
ZINC000002745520
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