Vitas-M small molecule compound
7-chloro-11-(3-methoxyphenyl)-3-phenyl-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK677991
SMILES COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccccc2)Nc2c(N1C(=O)/C=C/c1ccccc1)ccc(c2)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 C35H29ClN2O3 MW 561.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29ClN2O3/c1-41-28-14-8-13-25(19-28)35-34-30(20-26(21-32(34)39)24-11-6-3-7-12-24)37-29-22-27(36)16-17-31(29)38(35)33(40)18-15-23-9-4-2-5-10-23/h2-19,22,26,35,37H,20-21H2,1H3/b18-15+InChIKey
SGXRQIYAMQBRLL-OBGWFSINSA-NSynonyms
2chloro6(3methoxyphenyl)9phenyl5((E)3phenylprop2enoyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
7chloro11(3methoxyphenyl)3phenyl10((2E)3phenylprop2enoyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
COC1=CC=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=C(N2C(=O)C=CC6=CC=CC=C6)C=CC(=C5)Cl
COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccccc2)Nc2c(N1C(=O)C=Cc1ccccc1)ccc(c2)Cl
InChI=1SC35H29ClN2O3c141281481325(1928)353430(2026(2132(34)39)24116371224)37292227(36)161731(29)38(35)33(40)18152394251023h21922263537H2021H21H3b1815+
MFCD03036189
ZINC000100110457
ZINC000100110467
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