Vitas-M small molecule compound
9-(4-ethylphenyl)-2-(ethylsulfanyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210428
SMILES CCSc1nc2n(n1)C(c1ccc(cc1)CC)C1=C(N2)CC(CC1=O)(C)C
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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 C21H26N4OS MW 382.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4OS/c1-5-13-7-9-14(10-8-13)18-17-15(11-21(3,4)12-16(17)26)22-19-23-20(27-6-2)24-25(18)19/h7-10,18H,5-6,11-12H2,1-4H3,(H,22,23,24)InChIKey
UFVXHOGMXYWEGL-UHFFFAOYSA-NSynonyms
9(4ethylphenyl)2(ethylsulfanyl)66dimethyl5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4ethylphenyl)2ethylsulfanyl66dimethyl1579tetrahydro(124)triazolo(51b)quinazolin8one
CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)N=C4N2NC(=N4)SCC
InChI=1SC21H26N4OSc15137914(10813)181715(1121(34)1216(17)26)22192320(2762)2425(18)19h71018H561112H214H3(H222324)
MFCD06193258
ZINC000004777009
ZINC000004777010
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