Vitas-M small molecule compound

1-({2-[(2-chloro-4-nitrophenyl)amino]ethyl}[2,6-dinitro-4-(trifluoromethyl)phenyl]amino)propan-2-ol

Catalog ID
STK017180
SMILES CC(CN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCNc1ccc(cc1Cl)[N+](=O)[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 C18H17ClF3N5O7 MW 507.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClF3N5O7/c1-10(28)9-24(5-4-23-14-3-2-12(25(29)30)8-13(14)19)17-15(26(31)32)6-11(18(20,21)22)7-16(17)27(33)34/h2-3,6-8,10,23,28H,4-5,9H2,1H3
InChIKey
GGKKMBJZBFMBFJ-UHFFFAOYSA-N
Synonyms
340014-63-3
1((2((2CHLORO4NITROPHENYL)AMINO)ETHYL)(26DINITRO4(TRIFLUOROMETHYL)PHENYL)AMINO)PROPAN2OL
1(N(2(2CHLORO4NITROANILINO)ETHYL)26DINITRO4(TRIFLUOROMETHYL)ANILINO)PROPAN2OL
340014633
CC(CN(c1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))CCNc1ccc(cc1Cl)(N+)(=O)(O))O
CC(CN(CCNC1=C(C=C(C=C1)(N+)(=O)(O))Cl)C2=C(C=C(C=C2(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))O
InChI=1SC18H17ClF3N5O7c110(28)924(5423143212(25(29)30)813(14)19)1715(26(31)32)611(18(2021)22)716(17)27(33)34h2368102328H459H21H3
MFCD01173879
STK017180
ZINC000100079848
ZINC000100079851

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Available files

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