Vitas-M small molecule compound
methyl 4-{3-(4-tert-butylphenyl)-10-[(2-chlorophenyl)carbonyl]-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate
Catalog ID
STK677939
SMILES COC(=O)c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2c(N1C(=O)c1ccccc1Cl)cccc2
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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 C38H35ClN2O4 MW 619.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35ClN2O4/c1-38(2,3)27-19-17-23(18-20-27)26-21-31-34(33(42)22-26)35(24-13-15-25(16-14-24)37(44)45-4)41(32-12-8-7-11-30(32)40-31)36(43)28-9-5-6-10-29(28)39/h5-20,26,35,40H,21-22H2,1-4H3InChIKey
KTDIKEKGDOVVHM-UHFFFAOYSA-NSynonyms
CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5Cl)C6=CC=C(C=C6)C(=O)OC)C(=O)C2
InChI=1SC38H35ClN2O4c138(23)27191723(182027)26213134(33(42)2226)35(24131525(161424)37(44)454)41(3212871130(32)4031)36(43)289561029(28)39h520263540H2122H214H3
methyl4(3(4tertbutylphenyl)10((2chlorophenyl)carbonyl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(9(4tertbutylphenyl)5(2chlorobenzoyl)7oxo891011tetrahydro6Hbenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03036112
ZINC000033354687
ZINC000033354696
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