Vitas-M small molecule compound
(2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK529412
SMILES N#C/C(=C\Nc1ccc(cc1C)[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 C22H13N5O6S MW 475.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13N5O6S/c1-12-6-15(26(29)30)2-4-18(12)24-10-14(9-23)21-25-19(11-34-21)17-8-13-7-16(27(31)32)3-5-20(13)33-22(17)28/h2-8,10-11,24H,1H3/b14-10+InChIKey
ATHRGALHMOWCQM-GXDHUFHOSA-NSynonyms
372504-72-8(2E)3((2methyl4nitrophenyl)amino)2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(E)3((2methyl4nitrophenyl)amino)2(4(6nitro2oxo2Hchromen3yl)thiazol2yl)acrylonitrile
(E)3(2METHYL4NITROANILINO)2(4(6NITRO2OXOCHROMEN3YL)13THIAZOL2YL)PROP2ENENITRILE
372504728
CC1=C(C=CC(=C1)(N+)(=O)(O))NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
InChI=1SC22H13N5O6Sc112615(26(29)30)2418(12)241014(923)212519(113421)17813716(27(31)32)3520(13)3322(17)28h28101124H1H3b1410+
MFCD01944916
N#CC(=CNc1ccc(cc1C)(N+)(=O)(O))c1scc(n1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
ZINC000009008169
ZINC09008169
ZINC9008169
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