Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(6-chloro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK878613
SMILES N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1scc(n1)c1cc2cc(Cl)ccc2oc1=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 C22H12ClN3O4S MW 449.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12ClN3O4S/c23-14-1-3-18-12(5-14)6-16(22(27)30-18)17-10-31-21(26-17)13(8-24)9-25-15-2-4-19-20(7-15)29-11-28-19/h1-7,9-10,25H,11H2/b13-9+InChIKey
NTDJFHHFHKFZMX-UKTHLTGXSA-NSynonyms
1021251-94-4(2E)3(13benzodioxol5ylamino)2(4(6chloro2oxo2Hchromen3yl)13thiazol2yl)prop2enenitrile
(E)3(13benzodioxol5ylamino)2(4(6chloro2oxochromen3yl)13thiazol2yl)prop2enenitrile
1021251944
C1OC2=C(O1)C=C(C=C2)NC=C(C#N)C3=NC(=CS3)C4=CC5=C(C=CC(=C5)Cl)OC4=O
InChI=1SC22H12ClN3O4Sc2314131812(514)616(22(27)3018)17103121(2617)13(824)92515241920(715)29112819h1791025H11H2b139+
MFCD11992939
N#CC(=CNc1ccc2c(c1)OCO2)c1scc(n1)c1cc2cc(Cl)ccc2oc1=O
ZINC000017170427
ZINC17170427
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