Vitas-M small molecule compound
9-(2,5-dimethoxyphenyl)-2-(ethylsulfanyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210437
SMILES CCSc1nn2c(n1)NC1=C(C2c2cc(OC)ccc2OC)C(=O)CC(C1)(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 C21H26N4O3S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S/c1-6-29-20-23-19-22-14-10-21(2,3)11-15(26)17(14)18(25(19)24-20)13-9-12(27-4)7-8-16(13)28-5/h7-9,18H,6,10-11H2,1-5H3,(H,22,23,24)InChIKey
RXSFCVHHBAPICT-UHFFFAOYSA-NSynonyms
727404-08-2727404082
9(25dimethoxyphenyl)2(ethylsulfanyl)66dimethyl5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(25dimethoxyphenyl)2(ethylthio)66dimethyl5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(25dimethoxyphenyl)2ethylsulfanyl66dimethyl1579tetrahydro(124)triazolo(51b)quinazolin8one
CCSC1=NC2=NC3=C(C(N2N1)C4=C(C=CC(=C4)OC)OC)C(=O)CC(C3)(C)C
InChI=1SC21H26N4O3Sc162920231922141021(23)1115(26)17(14)18(25(19)2420)13912(274)7816(13)285h7918H61011H215H3(H222324)
MFCD06193286
ZINC000004436381
ZINC000004436383
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