Vitas-M small molecule compound
4-[11-(3-butoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Catalog ID
STK035573
SMILES CCCCOc1cccc(c1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CCC(=O)O)cccc2)(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 C29H34N2O5 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O5/c1-4-5-15-36-20-10-8-9-19(16-20)28-27-22(17-29(2,3)18-24(27)32)30-21-11-6-7-12-23(21)31(28)25(33)13-14-26(34)35/h6-12,16,28,32H,4-5,13-15,17-18H2,1-3H3,(H,34,35)InChIKey
XZYMGZZGAZFIOJ-UHFFFAOYSA-NSynonyms
4(11(3butoxyphenyl)1hydroxy33dimethyl23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)4oxobutanoicacid
4(11(3butoxyphenyl)1hydroxy33dimethyl34dihydro2Hdibenzo(be)(14)diazepin10(11H)yl)4oxobutanoicacid
CCCCOc1cccc(c1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CCC(=O)O)cccc2)(C)C
MFCD03194629
STK035573
ZINC000100425556
ZINC000100425559
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