Vitas-M small molecule compound
1,3-dimethyl-5-(4-nitrophenyl)-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4(1H,3H)-dione
Catalog ID
STK763611
SMILES O=c1c2C(Nc3c(Oc2n(c(=O)n1C)C)cccc3)c1ccc(cc1)[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 C19H16N4O5 MW 380.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O5/c1-21-17(24)15-16(11-7-9-12(10-8-11)23(26)27)20-13-5-3-4-6-14(13)28-18(15)22(2)19(21)25/h3-10,16,20H,1-2H3InChIKey
CMCKKJYBQLVTJB-UHFFFAOYSA-NSynonyms
13dimethyl5(4nitrophenyl)56dihydropyrimido(45b)(15)benzoxazepine24(1H3H)dione
13DIMETHYL5(4NITROPHENYL)56DIHYDROPYRIMIDO(45B)(15)BENZOXAZEPINE24DIONE
CN1C2=C(C(NC3=CC=CC=C3O2)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)N(C1=O)C
InChI=1SC19H16N4O5c12117(24)1516(117912(10811)23(26)27)2013534614(13)2818(15)22(2)19(21)25h3101620H12H3
MFCD00661025
O=c1c2C(Nc3c(Oc2n(c(=O)n1C)C)cccc3)c1ccc(cc1)(N+)(=O)(O)
ZINC000001066947
ZINC000001066948
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