Vitas-M small molecule compound
2-[(4-bromobenzyl)sulfanyl]-3-(2-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK530534
SMILES COc1ccccc1n1c(SCc2ccc(cc2)Br)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 C31H29BrN2O2S MW 573.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29BrN2O2S/c1-36-26-12-6-5-11-25(26)34-29(35)27-28(33-30(34)37-20-21-13-15-23(32)16-14-21)24-10-4-3-9-22(24)19-31(27)17-7-2-8-18-31/h3-6,9-16H,2,7-8,17-20H2,1H3InChIKey
WKQXYWXITFXBSD-UHFFFAOYSA-NSynonyms
2((4bromobenzyl)sulfanyl)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4bromobenzyl)thio)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4BROMOPHENYL)METHYLSULFANYL)3(2METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=CC=C(C=C6)Br
InChI=1SC31H29BrN2O2Sc1362612651125(26)3429(35)2728(3330(34)372021131523(32)161421)241043922(24)1931(27)177281831h36916H2781720H21H3
MFCD01993056
ZINC000001751006
ZINC01751006
ZINC1751006
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