Vitas-M small molecule compound

3-(3-bromophenyl)-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK531642
SMILES Brc1cccc(c1)n1c(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 C31H26Br2N2O2S MW 650.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26Br2N2O2S/c32-22-13-11-20(12-14-22)26(36)19-38-30-34-28-25-10-3-2-7-21(25)18-31(15-4-1-5-16-31)27(28)29(37)35(30)24-9-6-8-23(33)17-24/h2-3,6-14,17H,1,4-5,15-16,18-19H2
InChIKey
ZXMHYQSJVHXOSK-UHFFFAOYSA-N
Synonyms

3(3bromophenyl)2((2(4bromophenyl)2oxoethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3bromophenyl)2((2(4bromophenyl)2oxoethyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3BROMOPHENYL)2(2(4BROMOPHENYL)2OXOETHYL)SULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=C(C=C5)Br)C6=CC(=CC=C6)Br
InChI=1SC31H26Br2N2O2Sc3222131120(121422)26(36)1938303428251032721(25)1831(154151631)27(28)29(37)35(30)2496823(33)1724h2361417H14515161819H2
MFCD02763776
ZINC000150411752
ZINC150411752

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Available files

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