Vitas-M small molecule compound
11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK000448
SMILES CCC(=O)N1C(c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])C2=C(Nc3c1cccc3)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 C28H26ClN3O5 MW 519.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN3O5/c1-4-25(34)31-21-8-6-5-7-19(21)30-20-14-28(2,3)15-22(33)26(20)27(31)24-12-11-23(37-24)17-10-9-16(32(35)36)13-18(17)29/h5-13,27,30H,4,14-15H2,1-3H3InChIKey
BHBMABIGFAVFKB-UHFFFAOYSA-NSynonyms
353772-52-811(5(2chloro4nitrophenyl)furan2yl)33dimethyl10propanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
353772528
6(5(2chloro4nitrophenyl)furan2yl)99dimethyl5propanoyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(O4)C5=C(C=C(C=C5)(N+)(=O)(O))Cl
CCC(=O)N1C(c2ccc(o2)c2ccc(cc2Cl)(N+)(=O)(O))C2=C(Nc3c1cccc3)CC(CC2=O)(C)C
InChI=1SC28H26ClN3O5c1425(34)3121865719(21)30201428(23)1522(33)26(20)27(31)24121123(3724)1710916(32(35)36)1318(17)29h5132730H41415H213H3
MFCD01921838
STK000448
ZINC000000998518
ZINC000000998519
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