Vitas-M small molecule compound

1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}ethanone

Catalog ID
STK306186
SMILES COc1ccc(cc1)c1ccnc(n1)SCC(=O)N1N=C(CC1(O)C(F)F)C(F)F

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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 C18H16F4N4O3S MW 444.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F4N4O3S/c1-29-11-4-2-10(3-5-11)12-6-7-23-17(24-12)30-9-14(27)26-18(28,16(21)22)8-13(25-26)15(19)20/h2-7,15-16,28H,8-9H2,1H3
InChIKey
ZQHRMKPPZZMAKZ-UHFFFAOYSA-N
Synonyms
677329-12-3
1(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)2((4(4methoxyphenyl)pyrimidin2yl)sulfanyl)ethanone
1(35BIS(DIFLUOROMETHYL)5HYDROXY4HPYRAZOL1YL)2(4(4METHOXYPHENYL)PYRIMIDIN2YL)SULFANYLETHANONE
677329123
COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)N3C(CC(=N3)C(F)F)(C(F)F)O
InChI=1SC18H16F4N4O3Sc129114210(3511)12672317(2412)30914(27)2618(2816(21)22)813(2526)15(19)20h27151628H89H21H3
MFCD04129645
ZINC000013642578
ZINC000013642581

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Available files

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