Vitas-M small molecule compound
ethyl {[4-(4-methylphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}acetate
Catalog ID
STK831343
SMILES CCOC(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)C)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 C29H30N4O3S MW 514.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3S/c1-3-36-23(34)18-37-28-31-30-27-32(21-13-11-19(2)12-14-21)26(35)24-25(33(27)28)22-10-6-5-9-20(22)17-29(24)15-7-4-8-16-29/h5-6,9-14H,3-4,7-8,15-18H2,1-2H3InChIKey
GCXFYBQNGRKUMP-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NN=C2N1C3=C(C(=O)N2C4=CC=C(C=C4)C)C5(CCCCC5)CC6=CC=CC=C63
ethyl((4(4methylphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)sulfanyl)acetate
ethyl2((5oxo4(ptolyl)57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)thio)acetate
InChI=1SC29H30N4O3Sc133623(34)18372831302732(21131119(2)121421)26(35)2425(33(27)28)221065920(22)1729(24)157481629h56914H34781518H212H3
MFCD01960009
ZINC000002289400
ZINC2289400
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