Vitas-M small molecule compound

3-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)-6-hexyl-7-hydroxy-2H-chromen-2-one

Catalog ID
STK038221
SMILES CCCCCCc1cc2cc(c3csc(n3)Nc3cc(ccc3Cl)C(F)(F)F)c(=O)oc2cc1O

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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 C25H22ClF3N2O3S MW 522.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClF3N2O3S/c1-2-3-4-5-6-14-9-15-10-17(23(33)34-22(15)12-21(14)32)20-13-35-24(31-20)30-19-11-16(25(27,28)29)7-8-18(19)26/h7-13,32H,2-6H2,1H3,(H,30,31)
InChIKey
QWMCOOBGFFZUIC-UHFFFAOYSA-N
Synonyms

3(2((2CHLORO5(TRIFLUOROMETHYL)PHENYL)AMINO)13THIAZOL4YL)6HEXYL7HYDROXY2HCHROMEN2ONE
3(2(2CHLORO5(TRIFLUOROMETHYL)ANILINO)13THIAZOL4YL)6HEXYL7HYDROXYCHROMEN2ONE
CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=C(C=CC(=C4)C(F)(F)F)Cl)O
CCCCCCc1cc2cc(c3csc(n3)Nc3cc(ccc3Cl)C(F)(F)F)c(=O)oc2cc1O
InChI=1SC25H22ClF3N2O3Sc123456149151017(23(33)3422(15)1221(14)32)20133524(3120)30191116(25(2728)29)7818(19)26h71332H26H21H3(H3031)
MFCD02088427
STK038221
ZINC000002956248
ZINC2956248

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Available files

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