Vitas-M small molecule compound
2-[3-(1H-benzotriazol-1-ylmethyl)-4-(prop-2-en-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-(2-methylphenyl)acetamide
Catalog ID
STL272943
SMILES C=CCn1c(nn(c1=S)CC(=O)Nc1ccccc1C)Cn1nnc2c1cccc2
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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 C21H21N7OS MW 419.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N7OS/c1-3-12-26-19(13-27-18-11-7-6-10-17(18)23-25-27)24-28(21(26)30)14-20(29)22-16-9-5-4-8-15(16)2/h3-11H,1,12-14H2,2H3,(H,22,29)InChIKey
LFLGCRAVXALLCI-UHFFFAOYSA-NSynonyms
2(3(1Hbenzotriazol1ylmethyl)4(prop2en1yl)5thioxo45dihydro1H124triazol1yl)N(2methylphenyl)acetamide
2(3(BENZOTRIAZOL1YLMETHYL)4PROP2ENYL5SULFANYLIDENE124TRIAZOL1YL)N(2METHYLPHENYL)ACETAMIDE
2(3(BENZOTRIAZOLYLMETHYL)4PROP2ENYL5THIOXO(124TRIAZOLINYL))N(2METHYLPHENYL)ACETAMIDE
CC1=CC=CC=C1NC(=O)CN2C(=S)N(C(=N2)CN3C4=CC=CC=C4N=N3)CC=C
InChI=1SC21H21N7OSc13122619(13271811761017(18)232527)2428(21(26)30)1420(29)2216954815(16)2h311H11214H22H3(H2229)
MFCD06736985
ZINC000016769638
ZINC16769638
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