Vitas-M small molecule compound
(2E)-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-nitrophenyl)amino]prop-2-enenitrile
Catalog ID
STK529784
SMILES N#C/C(=C\Nc1cccc(c1)[N+](=O)[O-])/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 C21H11N5O6S MW 461.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11N5O6S/c22-9-13(10-23-14-2-1-3-15(8-14)25(28)29)20-24-18(11-33-20)17-7-12-6-16(26(30)31)4-5-19(12)32-21(17)27/h1-8,10-11,23H/b13-10+InChIKey
TYDNNLAFKSHDQJ-JLHYYAGUSA-NSynonyms
(2E)2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)3((3nitrophenyl)amino)prop2enenitrile
(E)3(3NITROANILINO)2(4(6NITRO2OXOCHROMEN3YL)13THIAZOL2YL)PROP2ENENITRILE
2(4(6nitro2oxo2Hchromen3yl)thiazol2yl)3((3nitrophenyl)amino)acrylonitrile
C1=CC(=CC(=C1)(N+)(=O)(O))NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
InChI=1SC21H11N5O6Sc22913(10231421315(814)25(28)29)202418(113320)17712616(26(30)31)4519(12)3221(17)27h18101123Hb1310+
MFCD01853297
N#CC(=CNc1cccc(c1)(N+)(=O)(O))c1scc(n1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
ZINC000008818247
ZINC08818247
ZINC8818247
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