Vitas-M small molecule compound
3-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK014385
SMILES Brc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3
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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/c33-25-15-13-23(14-16-25)27(36)21-38-31-34-29-26-12-6-5-11-24(26)19-32(17-7-2-8-18-32)28(29)30(37)35(31)20-22-9-3-1-4-10-22/h1,3-6,9-16H,2,7-8,17-21H2InChIKey
WUIDHLBKSMNAOH-UHFFFAOYSA-NSynonyms
3BENZYL2((2(4BROMOPHENYL)2OXOETHYL)SULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
3BENZYL2((2(4BROMOPHENYL)2OXOETHYL)SULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)4(3H)ONE
3BENZYL2(2(4BROMOPHENYL)2OXOETHYL)SULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
Brc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=C(C=C5)Br)CC6=CC=CC=C6
InChI=1SC32H29BrN2O2Sc3325151323(141625)27(36)21383134292612651124(26)1932(177281832)28(29)30(37)35(31)202293141022h136916H2781721H2
MFCD01807031
STK014385
ZINC000002181979
ZINC02181979
ZINC2181979
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