Vitas-M small molecule compound
8-chloro-2-methyl-3-(4-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}phenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL141974
SMILES Clc1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)c1ccc(cc1)C(=O)N1CCN(CC1)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 C28H26ClN5O5 MW 548.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN5O5/c1-28-17-24(23-16-19(29)4-11-25(23)39-28)30-27(36)33(28)21-5-2-18(3-6-21)26(35)32-14-12-31(13-15-32)20-7-9-22(10-8-20)34(37)38/h2-11,16,24H,12-15,17H2,1H3,(H,30,36)InChIKey
JZYMFTQPMYPITM-UHFFFAOYSA-NSynonyms
902466-14-28chloro2methyl3(4((4(4nitrophenyl)piperazin1yl)carbonyl)phenyl)2356tetrahydro4H26methano135benzoxadiazocin4one
902466142
CC12CC(C3=C(O1)C=CC(=C3)Cl)NC(=O)N2C4=CC=C(C=C4)C(=O)N5CCN(CC5)C6=CC=C(C=C6)(N+)(=O)(O)
Clc1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H26ClN5O5c1281724(231619(29)41125(23)3928)3027(36)33(28)215218(3621)26(35)32141231(131532)207922(10820)34(37)38h2111624H121517H21H3(H3036)
MFCD14757185
ZINC000029749597
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