Vitas-M small molecule compound
1-(butylsulfanyl)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
Catalog ID
STK531133
SMILES CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1)CCCC3
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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/c1-2-3-17-33-26-29-28-25-30(20-12-5-4-6-13-20)24(32)22-23(31(25)26)21-14-8-7-11-19(21)18-27(22)15-9-10-16-27/h4-8,11-14H,2-3,9-10,15-18H2,1H3InChIKey
ZKCWOXYBQFUZLM-UHFFFAOYSA-NSynonyms
1(butylsulfanyl)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
1(butylthio)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
CCCCSC1=NN=C2N1C3=C(C(=O)N2C4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63
InChI=1SC27H28N4OSc12317332629282530(20125461320)24(32)2223(31(25)26)2114871119(21)1827(22)159101627h481114H239101518H21H3
MFCD02242610
ZINC000002299967
ZINC2299967
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