Vitas-M small molecule compound

ethyl (5E)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-[4-(methoxycarbonyl)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK743378
SMILES CCOC(=O)C1=C(S/C(=C/c2ccc(cc2)C(=O)OC)/C1=O)NC(=O)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 C27H27NO6S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO6S/c1-6-34-26(32)21-22(29)20(15-16-7-9-18(10-8-16)25(31)33-5)35-24(21)28-23(30)17-11-13-19(14-12-17)27(2,3)4/h7-15H,6H2,1-5H3,(H,28,30)/b20-15+
InChIKey
PGJHASCUPJEITB-HMMYKYKNSA-N
Synonyms

CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)C(=O)OC)C1=O)NC(=O)C3=CC=C(C=C3)C(C)(C)C
CCOC(=O)C1=C(SC(=Cc2ccc(cc2)C(=O)OC)C1=O)NC(=O)c1ccc(cc1)C(C)(C)C
ethyl(5E)2(((4tertbutylphenyl)carbonyl)amino)5(4(methoxycarbonyl)benzylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5E)2((4TERTBUTYLBENZOYL)AMINO)5((4METHOXYCARBONYLPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC27H27NO6Sc163426(32)2122(29)20(15167918(10816)25(31)335)3524(21)2823(30)17111319(141217)27(23)4h715H6H215H3(H2830)b2015+
MFCD13371924
ZINC000002826916
ZINC02826916
ZINC2826916

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Available files

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