Vitas-M small molecule compound
(2Z)-2-cyano-N-methyl-2-[3-(4-methylphenyl)-5-(3-nitrobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Catalog ID
STL017385
SMILES CNC(=O)/C(=C/1\SC(C(=O)N1c1ccc(cc1)C)Cc1cccc(c1)[N+](=O)[O-])/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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-13-6-8-15(9-7-13)24-20(27)18(30-21(24)17(12-22)19(26)23-2)11-14-4-3-5-16(10-14)25(28)29/h3-10,18H,11H2,1-2H3,(H,23,26)/b21-17-InChIKey
BUMDTZKOJZJCEV-FXBPSFAMSA-NSynonyms
(2Z)2CYANONMETHYL2(3(4METHYLPHENYL)5((3NITROPHENYL)METHYL)4OXO13THIAZOLIDIN2YLIDENE)ACETAMIDE
(2Z)2cyanoNmethyl2(3(4methylphenyl)5(3nitrobenzyl)4oxo13thiazolidin2ylidene)ethanamide
2CYANONMETHYL2(3(4METHYLPHENYL)5((3NITROPHENYL)METHYL)4OXO(13THIAZOLIDIN2YLIDENE))ACETAMIDE
CC1=CC=C(C=C1)N2C(=O)C(SC2=C(C#N)C(=O)NC)CC3=CC(=CC=C3)(N+)(=O)(O)
CNC(=O)C(=C1SC(C(=O)N1c1ccc(cc1)C)Cc1cccc(c1)(N+)(=O)(O))C#N
InChI=1SC21H18N4O4Sc1136815(9713)2420(27)18(3021(24)17(1222)19(26)232)111443516(1014)25(28)29h31018H11H212H3(H2326)b2117
MFCD05847476
ZINC000000934913
ZINC000000934915
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