Vitas-M small molecule compound
4-benzyl-1-[(3-methylbutyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
Catalog ID
STK530711
SMILES CC(CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)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 C29H32N4OS MW 484.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4OS/c1-20(2)14-17-35-28-31-30-27-32(19-21-10-4-3-5-11-21)26(34)24-25(33(27)28)23-13-7-6-12-22(23)18-29(24)15-8-9-16-29/h3-7,10-13,20H,8-9,14-19H2,1-2H3InChIKey
CFDDCYMMUJSKOD-UHFFFAOYSA-NSynonyms
4benzyl1((3methylbutyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
4benzyl1(isopentylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
CC(C)CCSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63
InChI=1SC29H32N4OSc120(2)1417352831302732(1921104351121)26(34)2425(33(27)28)2313761222(23)1829(24)15891629h37101320H891419H212H3
MFCD02238939
ZINC000001901693
ZINC1901693
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