Vitas-M small molecule compound
2,2-dimethyl-5-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK756999
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1ccc(c(c1)[N+](=O)[O-])Sc1nccn1C
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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 C29H26N4O3S MW 510.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O3S/c1-29(2)15-20-25-19-7-5-4-6-17(19)8-10-21(25)31-27(26(20)23(34)16-29)18-9-11-24(22(14-18)33(35)36)37-28-30-12-13-32(28)3/h4-14,27,31H,15-16H2,1-3H3InChIKey
SUSIEWGTEPTQLL-UHFFFAOYSA-NSynonyms
5965-55-922dimethyl5(4((1methyl1Himidazol2yl)sulfanyl)3nitrophenyl)2356tetrahydrobenzo(a)phenanthridin4(1H)one
22dimethyl5(4(1methylimidazol2yl)sulfanyl3nitrophenyl)1356tetrahydrobenzo(a)phenanthridin4one
5965559
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)SC6=NC=CN6C)(N+)(=O)(O))C(=O)C1)C
InChI=1SC29H26N4O3Sc129(2)15202519754617(19)81021(25)3127(26(20)23(34)1629)1891124(22(1418)33(35)36)372830121332(28)3h4142731H1516H213H3
MFCD01204381
O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1ccc(c(c1)(N+)(=O)(O))Sc1nccn1C
ZINC000000714682
ZINC000000714683
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