Vitas-M small molecule compound
2-[(2,4-dimethylbenzyl)sulfanyl]-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK552761
SMILES COc1ccc(cc1)n1c(SCc2ccc(cc2C)C)nc2c(c1=O)C1(CCCC1)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 C32H32N2O2S MW 508.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2O2S/c1-21-10-11-24(22(2)18-21)20-37-31-33-29-27-9-5-4-8-23(27)19-32(16-6-7-17-32)28(29)30(35)34(31)25-12-14-26(36-3)15-13-25/h4-5,8-15,18H,6-7,16-17,19-20H2,1-3H3InChIKey
TXRNUJRPGGQNFT-UHFFFAOYSA-NSynonyms
380667-19-62((24dimethylbenzyl)sulfanyl)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((24dimethylbenzyl)thio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((24DIMETHYLPHENYL)METHYLSULFANYL)3(4METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
380667196
CC1=CC(=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)C5(CCCC5)CC6=CC=CC=C63)C
InChI=1SC32H32N2O2Sc121101124(22(2)1821)203731332927954823(27)1932(16671732)28(29)30(35)34(31)25121426(363)151325h4581518H6716171920H213H3
MFCD03685357
ZINC000002246967
ZINC02246967
ZINC2246967
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