Vitas-M small molecule compound
2-[(2,4-dimethylbenzyl)sulfanyl]-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK530479
SMILES COc1cccc(c1)n1c(SCc2ccc(cc2C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
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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 C33H34N2O2S MW 522.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2O2S/c1-22-14-15-25(23(2)18-22)21-38-32-34-30-28-13-6-5-10-24(28)20-33(16-7-4-8-17-33)29(30)31(36)35(32)26-11-9-12-27(19-26)37-3/h5-6,9-15,18-19H,4,7-8,16-17,20-21H2,1-3H3InChIKey
FNOQWVFNFPDZIG-UHFFFAOYSA-NSynonyms
2((24dimethylbenzyl)sulfanyl)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24dimethylbenzyl)thio)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24DIMETHYLPHENYL)METHYLSULFANYL)3(3METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC(=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)C5(CCCCC5)CC6=CC=CC=C63)C
InChI=1SC33H34N2O2Sc122141525(23(2)1822)21383234302813651024(28)2033(167481733)29(30)31(36)35(32)261191227(1926)373h569151819H47816172021H213H3
MFCD02237118
ZINC000001831569
ZINC01831569
ZINC1831569
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