Vitas-M small molecule compound
3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL169428
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccccc1[N+](=O)[O-])N(C(=O)Cc1ccccc1)c1c(N2)cccc1
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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 C33H29N3O5 MW 547.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N3O5/c1-33(2)19-24-31(27(37)20-33)32(29-17-16-28(41-29)22-12-6-8-14-25(22)36(39)40)35(26-15-9-7-13-23(26)34-24)30(38)18-21-10-4-3-5-11-21/h3-17,32,34H,18-20H2,1-2H3InChIKey
SDWHJFGRBQYUTC-UHFFFAOYSA-NSynonyms
352701-79-233dimethyl11(5(2nitrophenyl)furan2yl)10(phenylacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
352701792
99dimethyl6(5(2nitrophenyl)furan2yl)5(2phenylacetyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CC=C4)C5=CC=C(O5)C6=CC=CC=C6(N+)(=O)(O))C(=O)C1)C
InChI=1SC33H29N3O5c133(2)192431(27(37)2033)32(29171628(4129)2212681425(22)36(39)40)35(2615971323(26)3424)30(38)1821104351121h3173234H1820H212H3
MFCD01920281
O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccccc1(N+)(=O)(O))N(C(=O)Cc1ccccc1)c1c(N2)cccc1
ZINC000008432048
ZINC000008432050
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