Vitas-M small molecule compound
1,3-dimethyl-10-(1-methyl-1H-indol-3-yl)-5-(4-methyl-3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Catalog ID
STK693896
SMILES O=c1n(C)c(=O)c2c(n1C)c1n(c2c2ccc(c(c2)[N+](=O)[O-])C)CCOC1c1cn(c2c1cccc2)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 C27H25N5O5 MW 499.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O5/c1-15-9-10-16(13-20(15)32(35)36)22-21-23(29(3)27(34)30(4)26(21)33)24-25(37-12-11-31(22)24)18-14-28(2)19-8-6-5-7-17(18)19/h5-10,13-14,25H,11-12H2,1-4H3InChIKey
MYEMRUYGYOTNMF-UHFFFAOYSA-NSynonyms
13dimethyl10(1methyl1Hindol3yl)5(4methyl3nitrophenyl)17810tetrahydro2Hpyrimido(4534)pyrrolo(21c)(14)oxazine24(3H)dione
13dimethyl10(1methylindol3yl)5(4methyl3nitrophenyl)810dihydro7Hpyrimido(12)pyrrolo(45a)(14)oxazine24dione
CC1=C(C=C(C=C1)C2=C3C(=C4N2CCOC4C5=CN(C6=CC=CC=C65)C)N(C(=O)N(C3=O)C)C)(N+)(=O)(O)
InChI=1SC27H25N5O5c11591016(1320(15)32(35)36)222123(29(3)27(34)30(4)26(21)33)2425(37121131(22)24)181428(2)19865717(18)19h510131425H1112H214H3
MFCD12034121
O=c1n(C)c(=O)c2c(n1C)c1n(c2c2ccc(c(c2)(N+)(=O)(O))C)CCOC1c1cn(c2c1cccc2)C
ZINC000015109226
ZINC000015109229
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