Vitas-M small molecule compound
N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
Catalog ID
STK163659
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1ccc(c(c1)c1nc2c(s1)cccc2)Cl
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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 C22H15ClN4O3S2 MW 482.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClN4O3S2/c1-12-14(5-4-7-18(12)27(29)30)20(28)26-22(31)24-13-9-10-16(23)15(11-13)21-25-17-6-2-3-8-19(17)32-21/h2-11H,1H3,(H2,24,26,28,31)InChIKey
AQCFDFKOKZWALM-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4S3
InChI=1SC22H15ClN4O3S2c11214(54718(12)27(29)30)20(28)2622(31)241391016(23)15(1113)212517623819(17)3221h211H1H3(H224262831)
MFCD03138302
N((3(13BENZOTHIAZOL2YL)4CHLOROPHENYL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1ccc(c(c1)c1nc2c(s1)cccc2)Cl
ZINC000002856588
ZINC02856588
ZINC2856588
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