Vitas-M small molecule compound
ethyl 5-{[1-(2-amino-4,5-dimethylphenyl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
Catalog ID
STL446224
SMILES CCOC(=O)c1nnn(c1Sc1snnc1C(=O)OCC)c1cc(C)c(cc1N)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 C18H20N6O4S2 MW 448.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O4S2/c1-5-27-16(25)13-15(29-18-14(21-23-30-18)17(26)28-6-2)24(22-20-13)12-8-10(4)9(3)7-11(12)19/h7-8H,5-6,19H2,1-4H3InChIKey
AWRCSSPLTJLTST-UHFFFAOYSA-NSynonyms
1(2AMINO45DIMETHYLPHENYL)5((4(ETHOXYCARBONYL)123THIADIAZOLE5YL)THIO)1H123TRIAZOLE4CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(N(N=N1)C2=C(C=C(C(=C2)C)C)N)SC3=C(N=NS3)C(=O)OCC
ethyl5((1(2amino45dimethylphenyl)4(ethoxycarbonyl)1H123triazol5yl)sulfanyl)123thiadiazole4carboxylate
ETHYL5((1(2AMINO45DIMETHYLPHENYL)4(ETHOXYCARBONYL)1H123TRIAZOL5YL)THIO)123THIADIAZOLE4CARBOXYLATE
ETHYL5(3(2AMINO45DIMETHYLPHENYL)5ETHOXYCARBONYLTRIAZOL4YL)SULFANYLTHIADIAZOLE4CARBOXYLATE
InChI=1SC18H20N6O4S2c152716(25)1315(291814(21233018)17(26)2862)24(222013)12810(4)9(3)711(12)19h78H5619H214H3
MFCD06242561
ZINC000008694506
ZINC8694506
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