Vitas-M small molecule compound

N-[(4-{[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]sulfamoyl}phenyl)carbamothioyl]benzamide

Catalog ID
STK560251
SMILES CCc1n[nH]/c(=N\S(=O)(=O)c2ccc(cc2)NC(=S)NC(=O)c2ccccc2)/s1

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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 C18H17N5O3S3 MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O3S3/c1-2-15-21-22-18(28-15)23-29(25,26)14-10-8-13(9-11-14)19-17(27)20-16(24)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,22,23)(H2,19,20,24,27)
InChIKey
CMSYHNSRNXLHDZ-UHFFFAOYSA-N
Synonyms
452362-17-3
4(3BENZOYLTHIOUREIDO)N(5ETHYL(134)THIADIAZOL2YL)BENZENESULFONAMIDE
452362173
CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3
CCc1n(nH)c(=NS(=O)(=O)c2ccc(cc2)NC(=S)NC(=O)c2ccccc2)s1
InChI=1SC18H17N5O3S3c1215212218(2815)2329(2526)1410813(91114)1917(27)2016(24)126435712h311H2H21H3(H2223)(H219202427)
MFCD04075993
N((4(((2E)5ethyl134thiadiazol2(3H)ylidene)sulfamoyl)phenyl)carbamothioyl)benzamide
N((4((5ETHYL134THIADIAZOL2YL)SULFAMOYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
ZINC000017195581
ZINC17195581

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Available files

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