Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK157158
SMILES O=C1S/C(=C\c2cc(n(c2C)c2cccnc2)C)/C(=O)N1Cc1cccc(c1)[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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/c1-14-9-17(15(2)25(14)19-7-4-8-23-12-19)11-20-21(27)24(22(28)31-20)13-16-5-3-6-18(10-16)26(29)30/h3-12H,13H2,1-2H3/b20-11-InChIKey
JAGSFOKAXBDAGM-JAIQZWGSSA-NSynonyms
(5Z)5((25DIMETHYL1(PYRIDIN3YL)1HPYRROL3YL)METHYLIDENE)3(3NITROBENZYL)13THIAZOLIDINE24DIONE
(5Z)5((25DIMETHYL1PYRIDIN3YLPYRROL3YL)METHYLIDENE)3((3NITROPHENYL)METHYL)13THIAZOLIDINE24DIONE
CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)N(C(=O)S3)CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC22H18N4O4Sc114917(15(2)25(14)19748231219)112021(27)24(22(28)3120)131653618(1016)26(29)30h312H13H212H3b2011
MFCD03226969
O=C1SC(=Cc2cc(n(c2C)c2cccnc2)C)C(=O)N1Cc1cccc(c1)(N+)(=O)(O)
ZINC000013546512
ZINC13546512
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