Vitas-M small molecule compound

3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)propanamide

Catalog ID
STK837027
SMILES O=C(Nc1ccccc1[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/c1-13-6-8-14(9-7-13)12-17-19(25)22(20(28)29-17)11-10-18(24)21-15-4-2-3-5-16(15)23(26)27/h2-9,12H,10-11H2,1H3,(H,21,24)/b17-12-
InChIKey
QOBDHUQYWFUUMA-ATVHPVEESA-N
Synonyms

(Z)3(5(4methylbenzylidene)4oxo2thioxothiazolidin3yl)N(2nitrophenyl)propanamide
3((5Z)5((4METHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(2NITROPHENYL)PROPANAMIDE
3((5Z)5(4methylbenzylidene)4oxo2thioxo13thiazolidin3yl)N(2nitrophenyl)propanamide
CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=C3(N+)(=O)(O)
InChI=1SC20H17N3O4S2c1136814(9713)121719(25)22(20(28)2917)111018(24)2115423516(15)23(26)27h2912H1011H21H3(H2124)b1712
MFCD02369767
O=C(Nc1ccccc1(N+)(=O)(O))CCN1C(=S)SC(=Cc2ccc(cc2)C)C1=O
ZINC000008714014
ZINC08714014
ZINC8714014

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Available files

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