Vitas-M small molecule compound
4-benzyl-1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-ethyl-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Catalog ID
STL045269
SMILES CCC1(C)Cc2ccccc2c2c1c(=O)n(Cc1ccccc1)c1n2c(SCC(=O)c2ccc(cc2)Br)nn1
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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 C31H27BrN4O2S MW 599.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27BrN4O2S/c1-3-31(2)17-22-11-7-8-12-24(22)27-26(31)28(38)35(18-20-9-5-4-6-10-20)29-33-34-30(36(27)29)39-19-25(37)21-13-15-23(32)16-14-21/h4-16H,3,17-19H2,1-2H3InChIKey
NWCMIOYNMISYIA-UHFFFAOYSA-NSynonyms
4benzyl1((2(4bromophenyl)2oxoethyl)sulfanyl)6ethyl6methyl67dihydrobenzo(h)(124)triazolo(43a)quinazolin5(4H)one
4benzyl1((2(4bromophenyl)2oxoethyl)thio)6ethyl6methyl67dihydrobenzo(h)(124)triazolo(43a)quinazolin5(4H)one
CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Br)CC6=CC=CC=C6)C
InChI=1SC31H27BrN4O2Sc1331(2)172211781224(22)2726(31)28(38)35(182095461020)29333430(36(27)29)391925(37)21131523(32)161421h416H31719H212H3
MFCD04072062
ZINC000002590407
ZINC000002590408
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