Vitas-M small molecule compound
N-(1,3-benzothiazol-2-yl)-2-[(5E)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide
Catalog ID
STL035952
SMILES COc1cc(ccc1OC)/C=C\1/SC(=S)N(C1=O)CC(=O)Nc1nc2c(s1)cccc2
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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 C21H17N3O4S3 MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S3/c1-27-14-8-7-12(9-15(14)28-2)10-17-19(26)24(21(29)31-17)11-18(25)23-20-22-13-5-3-4-6-16(13)30-20/h3-10H,11H2,1-2H3,(H,22,23,25)/b17-10+InChIKey
TZBNIXRFBBFGQF-LICLKQGHSA-NSynonyms
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=NC4=CC=CC=C4S3)OC
COc1cc(ccc1OC)C=C1SC(=S)N(C1=O)CC(=O)Nc1nc2c(s1)cccc2
InChI=1SC21H17N3O4S3c127148712(915(14)282)101719(26)24(21(29)3117)1118(25)23202213534616(13)3020h310H11H212H3(H222325)b1710+
MFCD18192275
N(13benzothiazol2yl)2((5E)5((34dimethoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)acetamide
N(13benzothiazol2yl)2((5E)5(34dimethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)acetamide
ZINC000027530650
ZINC27530650
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