Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK530358
SMILES COc1ccccc1n1c(SCC(=O)c2ccc(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 C32H29BrN2O3S MW 601.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29BrN2O3S/c1-38-27-12-6-5-11-25(27)35-30(37)28-29(34-31(35)39-20-26(36)21-13-15-23(33)16-14-21)24-10-4-3-9-22(24)19-32(28)17-7-2-8-18-32/h3-6,9-16H,2,7-8,17-20H2,1H3InChIKey
SUMZIQMAMHFTNM-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2(4bromophenyl)2oxoethyl)thio)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3(2METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Br
InChI=1SC32H29BrN2O3Sc1382712651125(27)3530(37)2829(3431(35)392026(36)21131523(33)161421)241043922(24)1932(28)177281832h36916H2781720H21H3
MFCD01993055
ZINC000102407959
ZINC102407959
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