Vitas-M small molecule compound
9-[4-(dimethylamino)phenyl]-2-(ethylsulfanyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK250467
SMILES CCSc1nc2n(n1)C(c1ccc(cc1)N(C)C)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 C21H27N5OS MW 397.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5OS/c1-6-28-20-23-19-22-15-11-21(2,3)12-16(27)17(15)18(26(19)24-20)13-7-9-14(10-8-13)25(4)5/h7-10,18H,6,11-12H2,1-5H3,(H,22,23,24)InChIKey
WIWAZQPWBVYDOO-UHFFFAOYSA-NSynonyms
9(4(dimethylamino)phenyl)2(ethylsulfanyl)66dimethyl5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(4(dimethylamino)phenyl)2ethylsulfanyl66dimethyl1579tetrahydro(124)triazolo(51b)quinazolin8one
CCSC1=NC2=NC3=C(C(N2N1)C4=CC=C(C=C4)N(C)C)C(=O)CC(C3)(C)C
InChI=1SC21H27N5OSc162820231922151121(23)1216(27)17(15)18(26(19)2420)137914(10813)25(4)5h71018H61112H215H3(H222324)
MFCD06193260
ZINC000006677839
ZINC000006677840
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