Vitas-M small molecule compound
3,3-dimethyl-11-(5-nitrothiophen-2-yl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK005873
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(s1)[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 C27H25N3O4S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S/c1-27(2)15-19-25(21(31)16-27)26(22-12-13-24(35-22)30(33)34)29(20-11-7-6-10-18(20)28-19)23(32)14-17-8-4-3-5-9-17/h3-13,26,28H,14-16H2,1-2H3InChIKey
XONRYUBXODFUQR-UHFFFAOYSA-NSynonyms
371955-75-833dimethyl11(5nitrothiophen2yl)10(2phenylacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
33dimethyl11(5nitrothiophen2yl)10(phenylacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
371955758
99dimethyl6(5nitrothiophen2yl)5(2phenylacetyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CC=C4)C5=CC=C(S5)(N+)(=O)(O))C(=O)C1)C
InChI=1SC27H25N3O4Sc127(2)151925(21(31)1627)26(22121324(3522)30(33)34)29(2011761018(20)2819)23(32)14178435917h3132628H1416H212H3
MFCD01810996
O=C1CC(C)(C)CC2=C1C(c1ccc(s1)(N+)(=O)(O))N(C(=O)Cc1ccccc1)c1c(N2)cccc1
STK005873
ZINC000001304065
ZINC000008396118
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