Vitas-M small molecule compound
ethyl (2E)-2-cyano-3-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfinyl]methyl}thiophen-2-yl)prop-2-enoate
Catalog ID
STL435671
SMILES CCOC(=O)/C(=C/c1scc(c1)CS(=O)c1nnnn1C)/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 C13H13N5O3S2 MW 351.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N5O3S2/c1-3-21-12(19)10(6-14)5-11-4-9(7-22-11)8-23(20)13-15-16-17-18(13)2/h4-5,7H,3,8H2,1-2H3/b10-5+InChIKey
UYHTWXPJXMYJTC-BJMVGYQFSA-NSynonyms
CCOC(=O)C(=CC1=CC(=CS1)CS(=O)C2=NN=NN2C)C#N
CCOC(=O)C(=Cc1scc(c1)CS(=O)c1nnnn1C)C#N
ethyl(2E)2cyano3(4(((1methyl1Htetrazol5yl)sulfinyl)methyl)thiophen2yl)prop2enoate
ethyl(E)2cyano3(4((1methyltetrazol5yl)sulfinylmethyl)thiophen2yl)prop2enoate
InChI=1SC13H13N5O3S2c132112(19)10(614)51149(72211)823(20)1315161718(13)2h457H38H212H3b105+
MFCD25975760
ZINC000066089502
ZINC000066089504
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