Vitas-M small molecule compound
3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(4-nitrophenyl)propanamide
Catalog ID
STK836838
SMILES O=C(Nc1ccc(cc1)[N+](=O)[O-])CCN1C(=S)S/C(=C\c2ccc(cc2)C)/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 C20H17N3O4S2 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S2/c1-13-2-4-14(5-3-13)12-17-19(25)22(20(28)29-17)11-10-18(24)21-15-6-8-16(9-7-15)23(26)27/h2-9,12H,10-11H2,1H3,(H,21,24)/b17-12-InChIKey
KWWPMICWHSIGEB-ATVHPVEESA-NSynonyms
(Z)3(5(4methylbenzylidene)4oxo2thioxothiazolidin3yl)N(4nitrophenyl)propanamide
3((5Z)5((4METHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(4NITROPHENYL)PROPANAMIDE
3((5Z)5(4methylbenzylidene)4oxo2thioxo13thiazolidin3yl)N(4nitrophenyl)propanamide
CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H17N3O4S2c1132414(5313)121719(25)22(20(28)2917)111018(24)21156816(9715)23(26)27h2912H1011H21H3(H2124)b1712
MFCD02369768
O=C(Nc1ccc(cc1)(N+)(=O)(O))CCN1C(=S)SC(=Cc2ccc(cc2)C)C1=O
ZINC000008714015
ZINC08714015
ZINC8714015
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