Vitas-M small molecule compound
2-(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide
Catalog ID
STK230598
SMILES O=C(Nc1nc2c(s1)cccc2)CSc1nnc(n1C)CC(=O)Nc1ccccc1C
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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 C21H20N6O2S2 MW 452.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O2S2/c1-13-7-3-4-8-14(13)22-18(28)11-17-25-26-21(27(17)2)30-12-19(29)24-20-23-15-9-5-6-10-16(15)31-20/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,24,29)InChIKey
VGOZMUPGZXZDER-UHFFFAOYSA-NSynonyms
2(5((2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
2(5(2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=NC4=CC=CC=C4S3
InChI=1SC21H20N6O2S2c113734814(13)2218(28)1117252621(27(17)2)301219(29)242023159561016(15)3120h310H1112H212H3(H2228)(H232429)
MFCD06628328
ZINC000002881255
ZINC02881255
ZINC2881255
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