Vitas-M small molecule compound
methyl 11-(4-{[(4-chlorophenyl)carbonyl]oxy}-3-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK403735
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccc(c(c1)OC)OC(=O)c1ccc(cc1)Cl
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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 C30H27ClN2O6 MW 547.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN2O6/c1-16-14-22-26(28(34)25(16)30(36)38-3)27(33-21-7-5-4-6-20(21)32-22)18-10-13-23(24(15-18)37-2)39-29(35)17-8-11-19(31)12-9-17/h4-13,15-16,25,27,32-33H,14H2,1-3H3InChIKey
VFAUDWWINUHAET-UHFFFAOYSA-NSynonyms
2METHOXY4(2(METHOXYCARBONYL)3METHYL1OXO(234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN11YL))PHENYL4CHLOROBENZOATE
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC(=O)C5=CC=C(C=C5)Cl)OC)C(=O)C1C(=O)OC
InChI=1SC30H27ClN2O6c116142226(28(34)25(16)30(36)383)27(3321754620(21)3222)18101323(24(1518)372)3929(35)1781119(31)12917h413151625273233H14H213H3
methyl11(4(((4chlorophenyl)carbonyl)oxy)3methoxyphenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(4(4chlorobenzoyl)oxy3methoxyphenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632459
ZINC000102554947
ZINC000169777443
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