Vitas-M small molecule compound
2-({[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Catalog ID
STK149398
SMILES O=c1n(c2cccc(c2)C(F)(F)F)c(CSc2nnc(n2c2ccccc2)COc2ccccc2)nc2c1cccc2
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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 C31H22F3N5O2S MW 585.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22F3N5O2S/c32-31(33,34)21-10-9-13-23(18-21)38-28(35-26-17-8-7-16-25(26)29(38)40)20-42-30-37-36-27(19-41-24-14-5-2-6-15-24)39(30)22-11-3-1-4-12-22/h1-18H,19-20H2InChIKey
LKFGKZCLKYJOFW-UHFFFAOYSA-NSynonyms
2(((5(PHENOXYMETHYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)METHYL)3(3(TRIFLUOROMETHYL)PHENYL)QUINAZOLIN4(3H)ONE
2((5(PHENOXYMETHYL)4PHENYL124TRIAZOL3YL)SULFANYLMETHYL)3(3(TRIFLUOROMETHYL)PHENYL)QUINAZOLIN4ONE
C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)C(F)(F)F)COC6=CC=CC=C6
InChI=1SC31H22F3N5O2Sc3231(3334)211091323(1821)3828(352617871625(26)29(38)40)204230373627(194124145261524)39(30)22113141222h118H1920H2
MFCD03196932
ZINC000100132128
ZINC100132128
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