Vitas-M small molecule compound
2-chloro-4-methyl-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide
Catalog ID
STK135482
SMILES S=C(NC(=O)c1ccc(cc1Cl)C)Nc1ccc(cc1)c1nn2c(s1)nnc2
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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 C18H13ClN6OS2 MW 428.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN6OS2/c1-10-2-7-13(14(19)8-10)15(26)22-17(27)21-12-5-3-11(4-6-12)16-24-25-9-20-23-18(25)28-16/h2-9H,1H3,(H2,21,22,26,27)InChIKey
OCTNXTRNYHQYTQ-UHFFFAOYSA-NSynonyms
(2CHLORO4METHYLPHENYL)N(THIOXO((4(124TRIAZOLO(34B)134THIADIAZOLIN6YL)PHENYL)AMINO)METHYL)CARBOXAMIDE
2CHLORO4METHYLN((4((124)TRIAZOLO(34B)(134)THIADIAZOL6YL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NN4C=NN=C4S3)Cl
InChI=1SC18H13ClN6OS2c1102713(14(19)810)15(26)2217(27)21125311(4612)1624259202318(25)2816h29H1H3(H221222627)
MFCD04966666
ZINC000004124905
ZINC04124905
ZINC4124905
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