Vitas-M small molecule compound

3-(4-fluorophenyl)-11-(thiophen-2-yl)-10-[(3,4,5-trimethoxyphenyl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK016247
SMILES COc1c(OC)cc(cc1OC)C(=O)N1c2ccccc2NC2=C(C1c1cccs1)C(=O)CC(C2)c1ccc(cc1)F

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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 C33H29FN2O5S MW 584.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29FN2O5S/c1-39-27-17-21(18-28(40-2)32(27)41-3)33(38)36-25-8-5-4-7-23(25)35-24-15-20(19-10-12-22(34)13-11-19)16-26(37)30(24)31(36)29-9-6-14-42-29/h4-14,17-18,20,31,35H,15-16H2,1-3H3
InChIKey
RDRFTBIJDMJKOY-UHFFFAOYSA-N
Synonyms

3(4fluorophenyl)11(thiophen2yl)10((345trimethoxyphenyl)carbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(4fluorophenyl)11(thiophen2yl)10(345trimethoxybenzoyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4fluorophenyl)6thiophen2yl5(345trimethoxybenzoyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC(=CC(=C1OC)OC)C(=O)N2C(C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C52)C6=CC=CS6
COc1c(OC)cc(cc1OC)C(=O)N1c2ccccc2NC2=C(C1c1cccs1)C(=O)CC(C2)c1ccc(cc1)F
InChI=1SC33H29FN2O5Sc139271721(1828(402)32(27)413)33(38)3625854723(25)35241520(19101222(34)131119)1626(37)30(24)31(36)2996144229h4141718203135H1516H213H3
MFCD02375504
STK016247
ZINC000001249971
ZINC000001249974

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.