Vitas-M small molecule compound
11-(6-bromo-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403250
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1cc2OCOc2cc1Br)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 C24H19BrN2O3S MW 495.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19BrN2O3S/c25-15-11-21-20(29-12-30-21)10-14(15)24-23-18(26-16-4-1-2-5-17(16)27-24)8-13(9-19(23)28)22-6-3-7-31-22/h1-7,10-11,13,24,26-27H,8-9,12H2InChIKey
OTPOSBILVPHWGM-UHFFFAOYSA-NSynonyms
442666-37-711(6bromo13benzodioxol5yl)3(thiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
442666377
6(6bromo13benzodioxol5yl)9thiophen2yl56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC5=C(C=C4Br)OCO5)C6=CC=CS6
InChI=1SC24H19BrN2O3Sc2515112120(29123021)1014(15)242318(2616412517(16)2724)813(919(23)28)226373122h17101113242627H8912H2
MFCD03307917
ZINC000000651671
ZINC000000651677
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