Vitas-M small molecule compound

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

Catalog ID
STL021529
SMILES CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1ccccc1)/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 C28H23N3O4S MW 497.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O4S/c1-2-35-28(34)20-13-15-21(16-14-20)30-25(32)23(18-29)27-31(22-11-7-4-8-12-22)26(33)24(36-27)17-19-9-5-3-6-10-19/h3-16,24H,2,17H2,1H3,(H,30,32)/b27-23-
InChIKey
NXZRHGSSGNCXCI-VYIQYICTSA-N
Synonyms
499209-98-2
(Z)ethyl4(2(5benzyl4oxo3phenylthiazolidin2ylidene)2cyanoacetamido)benzoate
499209982
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=C2N(C(=O)C(S2)CC3=CC=CC=C3)C4=CC=CC=C4)C#N
CCOC(=O)c1ccc(cc1)NC(=O)C(=C1SC(C(=O)N1c1ccccc1)Cc1ccccc1)C#N
ethyl4(((2Z)2(5benzyl4oxo3phenyl13thiazolidin2ylidene)2cyanoacetyl)amino)benzoate
ETHYL4(2CYANO2(4OXO3PHENYL5BENZYL(13THIAZOLIDIN2YLIDENE))ACETYLAMINO)BENZOATE
InChI=1SC28H23N3O4Sc123528(34)20131521(161420)3025(32)23(1829)2731(22117481222)26(33)24(3627)171995361019h31624H217H21H3(H3032)b2723
MFCD03303688
ZINC000009358013
ZINC000012273747

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Available files

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