Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-methyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-4H-pyran-3-carboxylate
Catalog ID
STK780291
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1scc(c1)CSc1nnnn1C)C#N)N
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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 C17H18N6O3S2 MW 418.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O3S2/c1-4-25-16(24)13-9(2)26-15(19)11(6-18)14(13)12-5-10(7-27-12)8-28-17-20-21-22-23(17)3/h5,7,14H,4,8,19H2,1-3H3InChIKey
PHDZBLLRNJGMOW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC(=CS2)CSC3=NN=NN3C)C#N)N)C
ethyl6amino5cyano2methyl4(4(((1methyl1Htetrazol5yl)sulfanyl)methyl)thiophen2yl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2METHYL4(4((1METHYLTETRAZOL5YL)SULFANYLMETHYL)THIOPHEN2YL)4HPYRAN3CARBOXYLATE
InChI=1SC17H18N6O3S2c142516(24)139(2)2615(19)11(618)14(13)12510(72712)8281720212223(17)3h5714H4819H213H3
MFCD05860079
ZINC000012412722
ZINC000012412724
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