Vitas-M small molecule compound
5-cyclopentyl-2-{[(2E)-5-phenylhex-2-en-1-yl]sulfanyl}-5,6-dihydrobenzo[h]quinazolin-4-ol
Catalog ID
STK564926
SMILES CC(c1ccccc1)C/C=C/CSc1nc(O)c2c(n1)c1ccccc1CC2C1CCCC1
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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 C29H32N2OS MW 456.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2OS/c1-20(21-12-3-2-4-13-21)11-9-10-18-33-29-30-27-24-17-8-7-16-23(24)19-25(22-14-5-6-15-22)26(27)28(32)31-29/h2-4,7-10,12-13,16-17,20,22,25H,5-6,11,14-15,18-19H2,1H3,(H,30,31,32)/b10-9+InChIKey
NTRWOKLMPLFBHI-MDZDMXLPSA-NSynonyms
5cyclopentyl2(((2E)5phenylhex2en1yl)sulfanyl)56dihydrobenzo(h)quinazolin4ol
5CYCLOPENTYL2((E)5PHENYLHEX2ENYL)SULFANYL56DIHYDRO1HBENZO(H)QUINAZOLIN4ONE
CC(c1ccccc1)CC=CCSc1nc(O)c2c(n1)c1ccccc1CC2C1CCCC1
CC(CC=CCSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2C4CCCC4)C5=CC=CC=C5
InChI=1SC29H32N2OSc120(21123241321)1191018332930272417871623(24)1925(2214561522)26(27)28(32)3129h2471012131617202225H561114151819H21H3(H303132)b109+
MFCD03809590
ZINC000009046800
ZINC000012436675
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