Vitas-M small molecule compound
4-(4-methylphenyl)-1-(propan-2-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
Catalog ID
STK836184
SMILES CC(Sc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)C)CCCC3)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 C27H28N4OS MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4OS/c1-17(2)33-26-29-28-25-30(20-12-10-18(3)11-13-20)24(32)22-23(31(25)26)21-9-5-4-8-19(21)16-27(22)14-6-7-15-27/h4-5,8-13,17H,6-7,14-16H2,1-3H3InChIKey
JOENQGHIWMBZOC-UHFFFAOYSA-NSynonyms
1(isopropylthio)4(ptolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
4(4methylphenyl)1(propan2ylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N6C2=NN=C6SC(C)C
InChI=1SC27H28N4OSc117(2)332629282530(20121018(3)111320)24(32)2223(31(25)26)21954819(21)1627(22)14671527h4581317H671416H213H3
MFCD02994309
ZINC000002301917
ZINC2301917
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