Vitas-M small molecule compound
3,3,7,8-tetramethyl-11-(6-nitro-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK378095
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(c(c1)C)C)c1cc2OCOc2cc1[N+](=O)[O-]
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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 C24H25N3O5 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O5/c1-12-5-15-16(6-13(12)2)26-23(22-17(25-15)9-24(3,4)10-19(22)28)14-7-20-21(32-11-31-20)8-18(14)27(29)30/h5-8,23,25-26H,9-11H2,1-4H3InChIKey
NBBKZSFRFJSGCZ-UHFFFAOYSA-NSynonyms
2399tetramethyl6(6nitro13benzodioxol5yl)681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
3378tetramethyl11(6nitro13benzodioxol5yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)CC(C3)(C)C
InChI=1SC24H25N3O5c11251516(613(12)2)2623(2217(2515)924(34)1019(22)28)1472021(32113120)818(14)27(29)30h58232526H911H214H3
MFCD01823532
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cc(c(c1)C)C)c1cc2OCOc2cc1(N+)(=O)(O)
ZINC000000861223
ZINC000000861224
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