Vitas-M small molecule compound
3,5-dinitro-N-{[4-(phenylsulfamoyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK971648
SMILES S=C(NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1
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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 C20H15N5O7S2 MW 501.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O7S2/c26-19(13-10-16(24(27)28)12-17(11-13)25(29)30)22-20(33)21-14-6-8-18(9-7-14)34(31,32)23-15-4-2-1-3-5-15/h1-12,23H,(H2,21,22,26,33)InChIKey
CCMVNJGXZCODKQ-UHFFFAOYSA-NSynonyms
35dinitroN((4(phenylsulfamoyl)phenyl)carbamothioyl)benzamide
C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC20H15N5O7S2c2619(131016(24(27)28)1217(1113)25(29)30)2220(33)21146818(9714)34(3132)23154213515h11223H(H221222633)
MFCD04106738
S=C(NC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1
ZINC000002552049
ZINC02552049
ZINC2552049
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