Vitas-M small molecule compound
methyl 11-(3-chloro-5-ethoxy-4-hydroxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK101395
SMILES CCOc1cc(cc(c1O)Cl)C1Nc2ccccc2NC2=C1C(=O)C(C(C2)C)C(=O)OC
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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 C24H25ClN2O5 MW 456.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN2O5/c1-4-32-18-11-13(10-14(25)22(18)28)21-20-17(26-15-7-5-6-8-16(15)27-21)9-12(2)19(23(20)29)24(30)31-3/h5-8,10-12,19,21,26-28H,4,9H2,1-3H3InChIKey
BEQQSKJCJFDMOE-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC4=CC=CC=C4N2)Cl)O
InChI=1SC24H25ClN2O5c1432181113(1014(25)22(18)28)212017(2615756816(15)2721)912(2)19(23(20)29)24(30)313h58101219212628H49H213H3
methyl11(3chloro5ethoxy4hydroxyphenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
METHYL11(3CHLORO5ETHOXY4HYDROXYPHENYL)3METHYL1OXO234TRIHYDRO5H10H11HBENZO(B)BENZO(34F)14DIAZEPINE2CARBOXYLATE
methyl6(3chloro5ethoxy4hydroxyphenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632477
ZINC000001440269
ZINC000013940961
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