Vitas-M small molecule compound

4-[3-(1,3-benzodioxol-5-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]-2-methoxyphenyl acetate

Catalog ID
STK402680
SMILES COc1cc(ccc1OC(=O)C)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc2c(c1)OCO2

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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 C29H26N2O6 MW 498.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6/c1-16(32)37-25-10-8-18(14-26(25)34-2)29-28-22(30-20-5-3-4-6-21(20)31-29)11-19(12-23(28)33)17-7-9-24-27(13-17)36-15-35-24/h3-10,13-14,19,29-31H,11-12,15H2,1-2H3
InChIKey
AVZRCILQGOVJDE-UHFFFAOYSA-N
Synonyms

(4(9(13benzodioxol5yl)7oxo56891011hexahydrobenzo(b)(14)benzodiazepin6yl)2methoxyphenyl)acetate
4(3(13benzodioxol5yl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)2methoxyphenylacetate
4(3(2HBENZO(34D)13DIOXOLEN5YL)1OXO(234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN11YL))2METHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6N2)OC
InChI=1SC29H26N2O6c116(32)372510818(1426(25)342)292822(3020534621(20)3129)1119(1223(28)33)17792427(1317)36153524h3101314192931H111215H212H3
MFCD02104308
ZINC000001168197
ZINC000001168200

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Available files

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