Vitas-M small molecule compound

(2E)-N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}-3-(4-methylphenyl)prop-2-enamide

Catalog ID
STK545113
SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)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 C18H19N5O3S2 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O3S2/c1-12-2-4-13(5-3-12)6-11-16(24)22-18(27)21-14-7-9-15(10-8-14)28(25,26)23-17(19)20/h2-11H,1H3,(H4,19,20,23)(H2,21,22,24,27)/b11-6+
InChIKey
WKONATIMVDWNLS-IZZDOVSWSA-N
Synonyms
348165-01-5
(2E)N(((4((AMIDINOAMINO)SULFONYL)PHENYL)AMINO)THIOXOMETHYL)3(4METHYLPHENYL)PROP2ENAMIDE
(2E)N((4(carbamimidoylsulfamoyl)phenyl)carbamothioyl)3(4methylphenyl)prop2enamide
(E)N((4(DIAMINOMETHYLIDENEAMINO)SULFONYLPHENYL)CARBAMOTHIOYL)3(4METHYLPHENYL)PROP2ENAMIDE
(E)N((4(Ncarbamimidoylsulfamoyl)phenyl)carbamothioyl)3(ptolyl)acrylamide
348165015
CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N
InChI=1SC18H19N5O3S2c1122413(5312)61116(24)2218(27)21147915(10814)28(2526)2317(19)20h211H1H3(H4192023)(H221222427)b116+
MFCD01155783
NC(=N)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)C=Cc1ccc(cc1)C
ZINC000002371169
ZINC02371169
ZINC2371169

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.