Vitas-M small molecule compound
ethyl (5Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL369474
SMILES CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C(C)(C)C)S/C(=C\c2ccc(cc2)CC)/C1=O
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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 C27H29NO4S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4S/c1-6-17-8-10-18(11-9-17)16-21-23(29)22(26(31)32-7-2)25(33-21)28-24(30)19-12-14-20(15-13-19)27(3,4)5/h8-16H,6-7H2,1-5H3,(H,28,30)/b21-16-InChIKey
DJBFGKDHXQAIKF-PGMHBOJBSA-NSynonyms
CCC1=CC=C(C=C1)C=C2C(=O)C(=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC
CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C(C)(C)C)SC(=Cc2ccc(cc2)CC)C1=O
ethyl(5Z)2(((4tertbutylphenyl)carbonyl)amino)5(4ethylbenzylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)2((4TERTBUTYLBENZOYL)AMINO)5((4ETHYLPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL2((4TERTBUTYLBENZOYL)AMINO)5(4ETHYLBENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC27H29NO4Sc161781018(11917)162123(29)22(26(31)3272)25(3321)2824(30)19121420(151319)27(34)5h816H67H215H3(H2830)b2116
MFCD03785038
ZINC000002142915
ZINC02142915
ZINC2142915
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