Vitas-M small molecule compound
methyl (6-amino-5-cyano-2',3',5',6'-tetrahydro-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thiopyran]-3-yl)acetate
Catalog ID
STK775355
SMILES COC(=O)Cc1[nH]nc2c1C1(CCSCC1)C(=C(O2)N)C#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 C14H16N4O3S MW 320.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N4O3S/c1-20-10(19)6-9-11-13(18-17-9)21-12(16)8(7-15)14(11)2-4-22-5-3-14/h2-6,16H2,1H3,(H,17,18)InChIKey
UMJHNBLPUFYKMD-UHFFFAOYSA-NSynonyms
COC(=O)Cc1(nH)nc2c1C1(CCSCC1)C(=C(O2)N)C#N
COC(=O)CC1=C2C(=NN1)OC(=C(C23CCSCC3)C#N)N
InChI=1SC14H16N4O3Sc12010(19)691113(18179)2112(16)8(715)14(11)24225314h2616H21H3(H1718)
methyl(6amino5cyano2356tetrahydro2Hspiro(pyrano(23c)pyrazole44thiopyran)3yl)acetate
METHYL2(6AMINO5CYANOSPIRO(2HPYRANO(23C)PYRAZOLE44THIANE)3YL)ACETATE
METHYL2(6AMINO5CYANOSPIRO(4HPYRANO(23C)PYRAZOLE44THIANE)3YL)ACETATE
MFCD05257185
ZINC000006492283
ZINC6492283
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