Vitas-M small molecule compound
4-(2-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK530205
SMILES O=C(c1ccccc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)CCCCC3
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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 C33H30N4O2S MW 546.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N4O2S/c1-22-12-6-9-17-26(22)36-30(39)28-29(25-16-8-7-15-24(25)20-33(28)18-10-3-11-19-33)37-31(36)34-35-32(37)40-21-27(38)23-13-4-2-5-14-23/h2,4-9,12-17H,3,10-11,18-21H2,1H3InChIKey
AHPDQKGHQIIAGC-UHFFFAOYSA-NSynonyms
1((2oxo2phenylethyl)thio)4(otolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4(2methylphenyl)1((2oxo2phenylethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC(=O)C7=CC=CC=C7
InChI=1SC33H30N4O2Sc12212691726(22)3630(39)2829(2516871524(25)2033(28)18103111933)3731(36)343532(37)402127(38)23134251423h2491217H310111821H21H3
MFCD02234869
ZINC000001794749
ZINC1794749
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