Vitas-M small molecule compound
ethyl 5-{[4-(ethoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
Catalog ID
STL438359
SMILES CCOC(=O)c1nnn(c1Sc1snnc1C(=O)OCC)c1ccc(cc1)OC
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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 C17H17N5O5S2 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O5S2/c1-4-26-15(23)12-14(28-17-13(19-21-29-17)16(24)27-5-2)22(20-18-12)10-6-8-11(25-3)9-7-10/h6-9H,4-5H2,1-3H3InChIKey
FGXUGEIXUOHKPY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)OC)SC3=C(N=NS3)C(=O)OCC
ethyl5((4(ethoxycarbonyl)1(4methoxyphenyl)1H123triazol5yl)sulfanyl)123thiadiazole4carboxylate
ETHYL5((4(ETHOXYCARBONYL)1(4METHOXYPHENYL)1H123TRIAZOL5YL)THIO)123THIADIAZOLE4CARBOXYLATE
ETHYL5(5ETHOXYCARBONYL3(4METHOXYPHENYL)TRIAZOL4YL)SULFANYLTHIADIAZOLE4CARBOXYLATE
InChI=1SC17H17N5O5S2c142615(23)1214(281713(19212917)16(24)2752)22(201812)106811(253)9710h69H45H213H3
MFCD06242601
ZINC000008694859
ZINC8694859
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