Vitas-M small molecule compound
(2Z)-3-(4-methyl-3-nitrophenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK580116
SMILES N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])C)/c1scc(n1)c1cc2ccccc2oc1=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 C22H13N3O4S MW 415.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13N3O4S/c1-13-6-7-14(9-19(13)25(27)28)8-16(11-23)21-24-18(12-30-21)17-10-15-4-2-3-5-20(15)29-22(17)26/h2-10,12H,1H3/b16-8-InChIKey
YATNGIYBOGMMNQ-PXNMLYILSA-NSynonyms
683255-65-4(2Z)3(4methyl3nitrophenyl)2(4(2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(Z)3(4methyl3nitrophenyl)2(4(2oxo2Hchromen3yl)thiazol2yl)acrylonitrile
(Z)3(4methyl3nitrophenyl)2(4(2oxochromen3yl)13thiazol2yl)prop2enenitrile
683255654
CC1=C(C=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)(N+)(=O)(O)
InChI=1SC22H13N3O4Sc1136714(919(13)25(27)28)816(1123)212418(123021)171015423520(15)2922(17)26h21012H1H3b168
MFCD03672602
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))C)c1scc(n1)c1cc2ccccc2oc1=O
ZINC000009075696
ZINC09075696
ZINC9075696
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