Vitas-M small molecule compound
ethyl [(3-benzyl-5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate
Catalog ID
STK531337
SMILES CCOC(=O)CSc1nc2c3ccccc3CC(c2c(=O)n1Cc1ccccc1)(C)C1CCCCC1
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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 C30H34N2O3S MW 502.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O3S/c1-3-35-25(33)20-36-29-31-27-24-17-11-10-14-22(24)18-30(2,23-15-8-5-9-16-23)26(27)28(34)32(29)19-21-12-6-4-7-13-21/h4,6-7,10-14,17,23H,3,5,8-9,15-16,18-20H2,1-2H3InChIKey
KFGZJUUUFPITJH-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C5CCCCC5
ethyl((3benzyl5cyclohexyl5methyl4oxo3456tetrahydrobenzo(h)quinazolin2yl)sulfanyl)acetate
ethyl2((3benzyl5cyclohexyl5methyl4oxo3456tetrahydrobenzo(h)quinazolin2yl)thio)acetate
ETHYL2((3BENZYL5CYCLOHEXYL5METHYL4OXO6HBENZO(H)QUINAZOLIN2YL)SULFANYL)ACETATE
InChI=1SC30H34N2O3Sc133525(33)2036293127241711101422(24)1830(223158591623)26(27)28(34)32(29)1921126471321h46710141723H358915161820H212H3
MFCD02988527
ZINC000001807384
ZINC000001807386
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