Vitas-M small molecule compound
10-[(6-chloropyridin-3-yl)methyl]-3,3-dimethyl-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK262173
SMILES Clc1ccc(cn1)CN1c2ccccc2NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(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 C27H25ClN4O3 MW 488.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN4O3/c1-27(2)13-21-25(23(33)14-27)26(18-6-5-7-19(12-18)32(34)35)31(16-17-10-11-24(28)29-15-17)22-9-4-3-8-20(22)30-21/h3-12,15,26,30H,13-14,16H2,1-2H3InChIKey
HDBOXPJFTOYANM-UHFFFAOYSA-NSynonyms
10((6CHLORO(3PYRIDYL))METHYL)33DIMETHYL11(3NITROPHENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
10((6chloropyridin3yl)methyl)33dimethyl11(3nitrophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5((6chloropyridin3yl)methyl)99dimethyl6(3nitrophenyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)CC4=CN=C(C=C4)Cl)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1)C
Clc1ccc(cn1)CN1c2ccccc2NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C
InChI=1SC27H25ClN4O3c127(2)132125(23(33)1427)26(1865719(1218)32(34)35)31(1617101124(28)291517)22943820(22)3021h312152630H131416H212H3
MFCD08547505
ZINC000009482236
ZINC000009482237
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