Vitas-M small molecule compound
(2Z)-3-[(5-chloro-2-methoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK803883
SMILES N#C/C(=C/Nc1cc(Cl)ccc1OC)/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 C22H13ClN4O5S MW 480.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13ClN4O5S/c1-31-20-4-2-14(23)8-17(20)25-10-13(9-24)21-26-18(11-33-21)16-7-12-6-15(27(29)30)3-5-19(12)32-22(16)28/h2-8,10-11,25H,1H3/b13-10-InChIKey
QWVGQUMJHWJWRL-RAXLEYEMSA-NSynonyms
(2Z)3((5chloro2methoxyphenyl)amino)2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(Z)3(5CHLORO2METHOXYANILINO)2(4(6NITRO2OXOCHROMEN3YL)13THIAZOL2YL)PROP2ENENITRILE
COC1=C(C=C(C=C1)Cl)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
InChI=1SC22H13ClN4O5Sc131204214(23)817(20)251013(924)212618(113321)16712615(27(29)30)3519(12)3222(16)28h28101125H1H3b1310
MFCD01958690
N#CC(=CNc1cc(Cl)ccc1OC)c1scc(n1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
ZINC000015659496
ZINC15659496
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