Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-4-hydroxy-1,3-thiazol-2(5H)-one
Catalog ID
STK630228
SMILES O=C1N=C(/C(=C/c2cc(n(c2C)c2ccc(c(c2)[N+](=O)[O-])C)C)/S1)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 C17H15N3O4S MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4S/c1-9-4-5-13(8-14(9)20(23)24)19-10(2)6-12(11(19)3)7-15-16(21)18-17(22)25-15/h4-8H,1-3H3,(H,18,21,22)/b15-7-InChIKey
GPSRHKHRIATSMW-CHHVJCJISA-NSynonyms
(5Z)5((25dimethyl1(4methyl3nitrophenyl)1Hpyrrol3yl)methylidene)4hydroxy13thiazol2(5H)one
(5Z)5((25DIMETHYL1(4METHYL3NITROPHENYL)PYRROL3YL)METHYLIDENE)13THIAZOLIDINE24DIONE
CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)S3)C)(N+)(=O)(O)
InChI=1SC17H15N3O4Sc194513(814(9)20(23)24)1910(2)612(11(19)3)71516(21)1817(22)2515h48H13H3(H182122)b157
MFCD09792276
O=C1N=C(C(=Cc2cc(n(c2C)c2ccc(c(c2)(N+)(=O)(O))C)C)S1)O
ZINC000013785583
ZINC13785583
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