Vitas-M small molecule compound

4-[(4-oxoquinazolin-3(4H)-yl)methyl]-N-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]cyclohexanecarboxamide

Catalog ID
STL315384
SMILES O=C(C1CCC(CC1)Cn1cnc2c(c1=O)cccc2)Nc1[nH]nc(n1)C(F)(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 C19H19F3N6O2 MW 420.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N6O2/c20-19(21,22)17-25-18(27-26-17)24-15(29)12-7-5-11(6-8-12)9-28-10-23-14-4-2-1-3-13(14)16(28)30/h1-4,10-12H,5-9H2,(H2,24,25,26,27,29)
InChIKey
IGERRMFEHWOOLW-UHFFFAOYSA-N
Synonyms
1435904-18-9
(1r4r)4((4oxoquinazolin3(4H)yl)methyl)N(5(trifluoromethyl)1H124triazol3yl)cyclohexanecarboxamide
1435904189
4((4oxoquinazolin3(4H)yl)methyl)N(3(trifluoromethyl)1H124triazol5yl)cyclohexanecarboxamide
4((4oxoquinazolin3yl)methyl)N(5(trifluoromethyl)1H124triazol3yl)cyclohexane1carboxamide
C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)NC4=NNC(=N4)C(F)(F)F
InChI=1SC19H19F3N6O2c2019(2122)172518(272617)2415(29)127511(6812)928102314421313(14)16(28)30h141012H59H2(H22425262729)
MFCD28027227
O=C((C@@H)1CC(C@H)(CC1)Cn1cnc2c(c1=O)cccc2)Nc1n(nH)c(n1)C(F)(F)F
O=C(C1CCC(CC1)Cn1cnc2c(c1=O)cccc2)Nc1(nH)nc(n1)C(F)(F)F
ZINC000095477026
ZINC101372196
ZINC95477026

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Available files

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