Vitas-M small molecule compound

ethyl 4-({(2Z)-2-cyano-2-[5-(3-methylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetyl}amino)benzoate

Catalog ID
STK740375
SMILES CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1cccc(c1)C)/C#N

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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 C29H25N3O4S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O4S/c1-3-36-29(35)21-12-14-22(15-13-21)31-26(33)24(18-30)28-32(23-10-5-4-6-11-23)27(34)25(37-28)17-20-9-7-8-19(2)16-20/h4-16,25H,3,17H2,1-2H3,(H,31,33)/b28-24-
InChIKey
SQXLZUORQCZRJM-COOPMVRXSA-N
Synonyms
497079-41-1
(Z)ethyl4(2cyano2(5(3methylbenzyl)4oxo3phenylthiazolidin2ylidene)acetamido)benzoate
497079411
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=C2N(C(=O)C(S2)CC3=CC=CC(=C3)C)C4=CC=CC=C4)C#N
CCOC(=O)c1ccc(cc1)NC(=O)C(=C1SC(C(=O)N1c1ccccc1)Cc1cccc(c1)C)C#N
ETHYL4(((2Z)2CYANO2(5((3METHYLPHENYL)METHYL)4OXO3PHENYL13THIAZOLIDIN2YLIDENE)ACETYL)AMINO)BENZOATE
ethyl4(((2Z)2cyano2(5(3methylbenzyl)4oxo3phenyl13thiazolidin2ylidene)acetyl)amino)benzoate
ETHYL4(2CYANO2(5((3METHYLPHENYL)METHYL)4OXO3PHENYL(13THIAZOLIDIN2YLIDENE))ACETYLAMINO)BENZOATE
InChI=1SC29H25N3O4Sc133629(35)21121422(151321)3126(33)24(1830)2832(23105461123)27(34)25(3728)172097819(2)1620h41625H317H212H3(H3133)b2824
MFCD03299515
ZINC000012273753
ZINC000012273754

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Available files

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