Vitas-M small molecule compound

[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl][5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]methanone

Catalog ID
STL171499
SMILES CC1=NN(C(C1)(O)C(F)F)C(=O)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)Cl

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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 C18H22ClF2N5O2 MW 413.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22ClF2N5O2/c1-10-3-18(28,13(20)21)26(23-10)14(27)16-4-11-2-12(5-16)7-17(6-11,8-16)25-9-22-15(19)24-25/h9,11-13,28H,2-8H2,1H3
InChIKey
NMNRLMIMXWVVET-UHFFFAOYSA-N
Synonyms
675830-68-9
(3(3CHLORO124TRIAZOL1YL)1ADAMANTYL)(5(DIFLUOROMETHYL)5HYDROXY3METHYL4HPYRAZOL1YL)METHANONE
(3(3chloro1H124triazol1yl)tricyclo(3311~37~)dec1yl)(5(difluoromethyl)5hydroxy3methyl45dihydro1Hpyrazol1yl)methanone
675830689
CC1=NN(C(C1)(C(F)F)O)C(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl
InChI=1SC18H22ClF2N5O2c110318(2813(20)21)26(2310)14(27)16411212(516)717(611816)2592215(19)2425h9111328H28H21H3
ZINC000006394660
ZINC000006395261

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Available files

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