Vitas-M small molecule compound

3,4-dimethyl-N-[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl]benzamide

Catalog ID
STK519435
SMILES O=C(c1ccc(c(c1)C)C)NCc1ccc(cc1)c1sc2n(n1)c(nn2)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 C20H19N5OS MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5OS/c1-12-4-7-17(10-13(12)2)18(26)21-11-15-5-8-16(9-6-15)19-24-25-14(3)22-23-20(25)27-19/h4-10H,11H2,1-3H3,(H,21,26)
InChIKey
XKHYQLBHRLRWSN-UHFFFAOYSA-N
Synonyms

34dimethylN((4(3methyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)methyl)benzamide
34dimethylN(4(3methyl(124)triazolo(34b)(134)thiadiazol6yl)benzyl)benzamide
CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C3=NN4C(=NN=C4S3)C)C
InChI=1SC20H19N5OSc1124717(1013(12)2)18(26)2111155816(9615)19242514(3)222320(25)2719h410H11H213H3(H2126)
MFCD11694234
ZINC000032642741
ZINC32642741

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Available files

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