Vitas-M small molecule compound
diethyl 1,1'-ethane-1,2-diylbis(5-{[4-(methylcarbamoyl)-1,2,3-thiadiazol-5-yl]sulfanyl}-1H-1,2,3-triazole-4-carboxylate)
Catalog ID
STL440402
SMILES CCOC(=O)c1nnn(c1Sc1snnc1C(=O)NC)CCn1nnc(c1Sc1snnc1C(=O)NC)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 C20H22N12O6S4 MW 654.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N12O6S4/c1-5-37-17(35)11-15(39-19-9(13(33)21-3)25-29-41-19)31(27-23-11)7-8-32-16(12(24-28-32)18(36)38-6-2)40-20-10(14(34)22-4)26-30-42-20/h5-8H2,1-4H3,(H,21,33)(H,22,34)InChIKey
IJSONAAKCDAVOD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)CCN2C(=C(N=N2)C(=O)OCC)SC3=C(N=NS3)C(=O)NC)SC4=C(N=NS4)C(=O)NC
diethyl11ethane12diylbis(5((4(methylcarbamoyl)123thiadiazol5yl)sulfanyl)1H123triazole4carboxylate)
ethyl1(2(4ethoxycarbonyl5(4(methylcarbamoyl)thiadiazol5yl)sulfanyltriazol1yl)ethyl)5(4(methylcarbamoyl)thiadiazol5yl)sulfanyltriazole4carboxylate
InChI=1SC20H22N12O6S4c153717(35)1115(39199(13(33)213)25294119)31(272311)783216(12(242832)18(36)3862)402010(14(34)224)26304220h58H214H3(H2133)(H2234)
MFCD13196605
ZINC000195865716
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