Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK878614
SMILES N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1cc2cc(ccc2oc1=O)[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 C22H12N4O6S MW 460.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12N4O6S/c23-8-13(9-24-14-1-3-19-20(7-14)31-11-30-19)21-25-17(10-33-21)16-6-12-5-15(26(28)29)2-4-18(12)32-22(16)27/h1-7,9-10,24H,11H2/b13-9+InChIKey
LLTXEOWLGKYWFK-UKTHLTGXSA-NSynonyms
1021219-39-5(2E)3(13benzodioxol5ylamino)2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(E)3(13benzodioxol5ylamino)2(4(6nitro2oxochromen3yl)13thiazol2yl)prop2enenitrile
1021219395
C1OC2=C(O1)C=C(C=C2)NC=C(C#N)C3=NC(=CS3)C4=CC5=C(C=CC(=C5)(N+)(=O)(O))OC4=O
InChI=1SC22H12N4O6Sc23813(92414131920(714)31113019)212517(103321)16612515(26(28)29)2418(12)3222(16)27h1791024H11H2b139+
MFCD11992940
N#CC(=CNc1ccc2c(c1)OCO2)c1scc(n1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
ZINC000017170429
ZINC17170429
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