Vitas-M small molecule compound
ethyl 5-{[1-(2-amino-4-ethoxyphenyl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
Catalog ID
STL446221
SMILES CCOc1ccc(c(c1)N)n1nnc(c1Sc1snnc1C(=O)OCC)C(=O)OCC
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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 C18H20N6O5S2 MW 464.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O5S2/c1-4-27-10-7-8-12(11(19)9-10)24-15(13(20-22-24)16(25)28-5-2)30-18-14(21-23-31-18)17(26)29-6-3/h7-9H,4-6,19H2,1-3H3InChIKey
JDVJLYYXQOKBCU-UHFFFAOYSA-NSynonyms
1(2AMINO4ETHOXYPHENYL)5((4(ETHOXYCARBONYL)123THIADIAZOLE5YL)THIO)1H123TRIAZOLE4CARBOXYLICACIDETHYLESTER
CCOC1=CC(=C(C=C1)N2C(=C(N=N2)C(=O)OCC)SC3=C(N=NS3)C(=O)OCC)N
ethyl5((1(2amino4ethoxyphenyl)4(ethoxycarbonyl)1H123triazol5yl)sulfanyl)123thiadiazole4carboxylate
ETHYL5(3(2AMINO4ETHOXYPHENYL)5(ETHOXYCARBONYL)3H123TRIAZOL4YLTHIO)123THIADIAZOLE4CARBOXYLATE
ETHYL5(3(2AMINO4ETHOXYPHENYL)5ETHOXYCARBONYLTRIAZOL4YL)SULFANYLTHIADIAZOLE4CARBOXYLATE
InChI=1SC18H20N6O5S2c1427107812(11(19)910)2415(13(202224)16(25)2852)301814(21233118)17(26)2963h79H4619H213H3
MFCD06242559
ZINC000008694502
ZINC8694502
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