Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK530271
SMILES Cc1cccc(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 C32H29BrN2O2S MW 585.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29BrN2O2S/c1-21-8-7-10-25(18-21)35-30(37)28-29(34-31(35)38-20-27(36)22-12-14-24(33)15-13-22)26-11-4-3-9-23(26)19-32(28)16-5-2-6-17-32/h3-4,7-15,18H,2,5-6,16-17,19-20H2,1H3InChIKey
PXMKJQZCBKXEPF-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2(4bromophenyl)2oxoethyl)thio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3(3METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Br
InChI=1SC32H29BrN2O2Sc121871025(1821)3530(37)2829(3431(35)382027(36)22121424(33)151322)261143923(26)1932(28)165261732h3471518H25616171920H21H3
MFCD01993033
ZINC000001869873
ZINC01869873
ZINC1869873
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