Vitas-M small molecule compound
4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Catalog ID
STK011992
SMILES COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CCC(=O)O)cccc2)c1cccs1
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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 C29H26N2O6S MW 530.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6S/c1-37-29(36)18-10-8-17(9-11-18)28-27-21(15-19(16-23(27)32)24-7-4-14-38-24)30-20-5-2-3-6-22(20)31(28)25(33)12-13-26(34)35/h2-11,14,19,28,32H,12-13,15-16H2,1H3,(H,34,35)InChIKey
OTSICEDAJMDGMI-UHFFFAOYSA-NSynonyms
4(1hydroxy11(4(methoxycarbonyl)phenyl)3(thiophen2yl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CCC(=O)O)cccc2)c1cccs1
MFCD03372676
STK011992
ZINC000101390137
ZINC000101390141
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