Vitas-M small molecule compound

ethyl (5Z)-2-[(4-chlorophenyl)amino]-5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK080380
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)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 C22H20ClNO3S MW 413.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO3S/c1-3-14-5-7-15(8-6-14)13-18-20(25)19(22(26)27-4-2)21(28-18)24-17-11-9-16(23)10-12-17/h5-13,24H,3-4H2,1-2H3/b18-13-
InChIKey
ZSRPYQBDSVREJM-AQTBWJFISA-N
Synonyms

CCC1=CC=C(C=C1)C=C2C(=O)C(=C(S2)NC3=CC=C(C=C3)Cl)C(=O)OCC
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2ccc(cc2)CC)C1=O
ETHYL(5Z)2((4CHLOROPHENYL)AMINO)5(4ETHYLBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4CHLOROANILINO)5((4ETHYLPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC22H20ClNO3Sc13145715(8614)131820(25)19(22(26)2742)21(2818)241711916(23)101217h51324H34H212H3b1813
MFCD08679708
STK080380
ZINC000004671625
ZINC04671625
ZINC4671625

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Available files

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