Vitas-M small molecule compound
methyl 4-({[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Catalog ID
STL079639
SMILES C=CCn1c(SCc2ccc(cc2)C(=O)OC)nnc1CSc1nc(C)cc(n1)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 C21H23N5O2S2 MW 441.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S2/c1-5-10-26-18(13-29-20-22-14(2)11-15(3)23-20)24-25-21(26)30-12-16-6-8-17(9-7-16)19(27)28-4/h5-9,11H,1,10,12-13H2,2-4H3InChIKey
IEJSUISAZMWQAU-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)OC)C
InChI=1SC21H23N5O2S2c15102618(1329202214(2)1115(3)2320)242521(26)3012166817(9716)19(27)284h5911H1101213H224H3
METHYL4(((4ALLYL5(((46DIMETHYLPYRIMIDIN2YL)THIO)METHYL)4H124TRIAZOL3YL)THIO)METHYL)BENZOATE
methyl4(((5(((46dimethylpyrimidin2yl)sulfanyl)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)methyl)benzoate
METHYL4((5((46DIMETHYLPYRIMIDIN2YL)SULFANYLMETHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZOATE
METHYL4((5((46DIMETHYLPYRIMIDIN2YLTHIO)METHYL)4PROP2ENYL124TRIAZOL3YLTHIO)METHYL)BENZOATE
MFCD04065535
ZINC000000936508
ZINC00936508
ZINC936508
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