Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK018307
SMILES Brc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)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 C29H29BrN2O2S MW 549.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O2S/c1-19(2)17-32-27(34)25-26(31-28(32)35-18-24(33)20-10-12-22(30)13-11-20)23-9-5-4-8-21(23)16-29(25)14-6-3-7-15-29/h4-5,8-13H,1,3,6-7,14-18H2,2H3InChIKey
VDNSFYFLQIDHNP-UHFFFAOYSA-NSynonyms
353762-15-92((2(4BROMOPHENYL)2OXOETHYL)SULFANYL)3(2METHYLPROP2EN1YL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
2((2(4bromophenyl)2oxoethyl)thio)3(2methylallyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3(2METHYLPROP2ENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
353762159
Brc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3
CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)C5=CC=C(C=C5)Br
InChI=1SC29H29BrN2O2Sc119(2)173227(34)2526(3128(32)351824(33)20101222(30)131120)23954821(23)1629(25)146371529h45813H13671418H22H3
MFCD01557237
STK018307
ZINC000002350821
ZINC2350821
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