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-(2,4-dimethylphenyl)acetamide
Catalog ID
STK221944
SMILES O=C(Nc1nc2c(s1)cccc2)CSc1nnc(n1C)CC(=O)Nc1ccc(cc1C)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 C22H22N6O2S2 MW 466.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O2S2/c1-13-8-9-15(14(2)10-13)23-19(29)11-18-26-27-22(28(18)3)31-12-20(30)25-21-24-16-6-4-5-7-17(16)32-21/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,25,30)InChIKey
WCVOBWUTFXHJJD-UHFFFAOYSA-NSynonyms
2(5((2(13benzothiazol2ylamino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)N(24dimethylphenyl)acetamide
2(5(2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(24DIMETHYLPHENYL)ACETAMIDE
2(5(BENZOTHIAZOL2YLCARBAMOYLMETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)N(24DIMETHYLPHENYL)ACETAMIDE
CC1=CC(=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=NC4=CC=CC=C4S3)C
InChI=1SC22H22N6O2S2c1138915(14(2)1013)2319(29)1118262722(28(18)3)311220(30)25212416645717(16)3221h410H1112H213H3(H2329)(H242530)
MFCD07399291
ZINC000009303109
ZINC09303109
ZINC9303109
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