Vitas-M small molecule compound
2-ethoxy-4-(3,3,7,8-tetramethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl cyclohexanecarboxylate
Catalog ID
STK060024
SMILES CCOc1cc(ccc1OC(=O)C1CCCCC1)C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(C)C)C
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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 C32H40N2O4 MW 516.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O4/c1-6-37-28-16-22(12-13-27(28)38-31(36)21-10-8-7-9-11-21)30-29-25(17-32(4,5)18-26(29)35)33-23-14-19(2)20(3)15-24(23)34-30/h12-16,21,30,33-34H,6-11,17-18H2,1-5H3InChIKey
ZBXGXCCNPHZFPI-UHFFFAOYSA-NSynonyms
(2ethoxy4(2399tetramethyl7oxo681011tetrahydro5Hbenzo(b)(14)benzodiazepin6yl)phenyl)cyclohexanecarboxylate
2ethoxy4(3378tetramethyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)phenylcyclohexanecarboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C(N2)C=C(C(=C4)C)C)OC(=O)C5CCCCC5
CCOc1cc(ccc1OC(=O)C1CCCCC1)C1Nc2cc(C)c(cc2NC2=C1C(=O)CC(C2)(C)C)C
InChI=1SC32H40N2O4c1637281622(121327(28)3831(36)21108791121)302925(1732(45)1826(29)35)33231419(2)20(3)1524(23)3430h121621303334H6111718H215H3
MFCD01874800
STK060024
ZINC000004080779
ZINC000004080784
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