Vitas-M small molecule compound
10-acetyl-11-[4-(benzyloxy)-3-methoxyphenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK075721
SMILES COc1cc(ccc1OCc1ccccc1)C1C2=C(Nc3c(N1C(=O)C)cccc3)CC(CC2=O)(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 C31H32N2O4 MW 496.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O4/c1-20(34)33-25-13-9-8-12-23(25)32-24-17-31(2,3)18-26(35)29(24)30(33)22-14-15-27(28(16-22)36-4)37-19-21-10-6-5-7-11-21/h5-16,30,32H,17-19H2,1-4H3InChIKey
PNTOXXYTCJYURV-UHFFFAOYSA-NSynonyms
353772-43-710acetyl11(4(benzyloxy)3methoxyphenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
353772437
5acetyl6(3methoxy4phenylmethoxyphenyl)99dimethyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC
COc1cc(ccc1OCc1ccccc1)C1C2=C(Nc3c(N1C(=O)C)cccc3)CC(CC2=O)(C)C
InChI=1SC31H32N2O4c120(34)332513981223(25)32241731(23)1826(35)29(24)30(33)22141527(28(1622)364)371921106571121h5163032H1719H214H3
MFCD01921811
STK075721
ZINC000000998481
ZINC000000998482
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