Vitas-M small molecule compound

(2Z)-3-[(3-chloro-4-methylphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Catalog ID
STK528387
SMILES N#C/C(=C/Nc1ccc(c(c1)Cl)C)/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 C22H13ClN4O4S MW 464.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13ClN4O4S/c1-12-2-3-15(8-18(12)23)25-10-14(9-24)21-26-19(11-32-21)17-7-13-6-16(27(29)30)4-5-20(13)31-22(17)28/h2-8,10-11,25H,1H3/b14-10-
InChIKey
HPDLIYGSHPIFPD-UVTDQMKNSA-N
Synonyms
374085-96-8
(2Z)3((3chloro4methylphenyl)amino)2(4(6nitro2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(Z)3((3chloro4methylphenyl)amino)2(4(6nitro2oxo2Hchromen3yl)thiazol2yl)acrylonitrile
(Z)3(3CHLORO4METHYLANILINO)2(4(6NITRO2OXOCHROMEN3YL)13THIAZOL2YL)PROP2ENENITRILE
374085968
CC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O)Cl
InChI=1SC22H13ClN4O4Sc1122315(818(12)23)251014(924)212619(113221)17713616(27(29)30)4520(13)3122(17)28h28101125H1H3b1410
MFCD01950241
N#CC(=CNc1ccc(c(c1)Cl)C)c1scc(n1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
ZINC000002282620
ZINC02282620
ZINC2282620

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Available files

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