Vitas-M small molecule compound
2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK823256
SMILES O=C(Nc1sc2c(c1C(=O)NCC1CCCO1)CCCC2)/C=C/c1ccc(cc1)C(C)(C)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 C27H34N2O3S MW 466.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O3S/c1-27(2,3)19-13-10-18(11-14-19)12-15-23(30)29-26-24(21-8-4-5-9-22(21)33-26)25(31)28-17-20-7-6-16-32-20/h10-15,20H,4-9,16-17H2,1-3H3,(H,28,31)(H,29,30)/b15-12+InChIKey
GLEKHLQZOGUQJA-NTCAYCPXSA-NSynonyms
2(((2E)3(4tertbutylphenyl)prop2enoyl)amino)N(tetrahydrofuran2ylmethyl)4567tetrahydro1benzothiophene3carboxamide
2(((E)3(4tertbutylphenyl)prop2enoyl)amino)N(oxolan2ylmethyl)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4CCCO4
InChI=1SC27H34N2O3Sc127(23)19131018(111419)121523(30)292624(21845922(21)3326)25(31)28172076163220h101520H491617H213H3(H2831)(H2930)b1512+
MFCD02978020
O=C(Nc1sc2c(c1C(=O)NCC1CCCO1)CCCC2)C=Cc1ccc(cc1)C(C)(C)C
ZINC000027019030
ZINC000027019036
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