Vitas-M small molecule compound
4-(4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile
Catalog ID
STK783652
SMILES N#Cc1[nH]c(c(c1C)C1Nc2ccccc2C(O1)(c1ccccc1)c1ccccc1)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 C27H23N3O MW 405.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O/c1-18-24(17-28)29-19(2)25(18)26-30-23-16-10-9-15-22(23)27(31-26,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,26,29-30H,1-2H3InChIKey
GPABDPQMTMSXPK-UHFFFAOYSA-NSynonyms
4(44DIPHENYL12DIHYDRO31BENZOXAZIN2YL)35DIMETHYL1HPYRROLE2CARBONITRILE
4(44diphenyl14dihydro2H31benzoxazin2yl)35dimethyl1Hpyrrole2carbonitrile
CC1=C(NC(=C1C2NC3=CC=CC=C3C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)C)C#N
InChI=1SC27H23N3Oc11824(1728)2919(2)25(18)263023161091522(23)27(312620115361220)21137481421h316262930H12H3
MFCD06618798
N#Cc1(nH)c(c(c1C)C1Nc2ccccc2C(O1)(c1ccccc1)c1ccccc1)C
ZINC000004708449
ZINC000004708451
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