Vitas-M small molecule compound

(5E)-3-(4-nitrobenzyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione

Catalog ID
STK104206
SMILES O=C1S/C(=C/c2ccncc2)/C(=O)N1Cc1ccc(cc1)[N+](=O)[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 C16H11N3O4S MW 341.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O4S/c20-15-14(9-11-5-7-17-8-6-11)24-16(21)18(15)10-12-1-3-13(4-2-12)19(22)23/h1-9H,10H2/b14-9+
InChIKey
MXDPAODSROHFOM-NTEUORMPSA-N
Synonyms

(5E)3((4NITROPHENYL)METHYL)5(PYRIDIN4YLMETHYLIDENE)13THIAZOLIDINE24DIONE
(5E)3(4NITROBENZYL)5(PYRIDIN4YLMETHYLIDENE)13THIAZOLIDINE24DIONE
C1=CC(=CC=C1CN2C(=O)C(=CC3=CC=NC=C3)SC2=O)(N+)(=O)(O)
InChI=1SC16H11N3O4Sc201514(91157178611)2416(21)18(15)10121313(4212)19(22)23h19H10H2b149+
MFCD07115256
O=C1SC(=Cc2ccncc2)C(=O)N1Cc1ccc(cc1)(N+)(=O)(O)
ZINC000004674700
ZINC04674700
ZINC4674700

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Available files

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