Vitas-M small molecule compound
3,5-dimethyl-4-[(Z)-(6-methyl-3-oxo-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-1(3H)-ylidene)methyl]-1H-pyrrole-2-carbonitrile
Catalog ID
STK679686
SMILES N#Cc1[nH]c(c(c1C)/C=C/1\OC(=O)c2c1cc(C)[nH]c2=S)C
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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 C16H13N3O2S MW 311.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O2S/c1-7-4-11-13(21-16(20)14(11)15(22)18-7)5-10-8(2)12(6-17)19-9(10)3/h4-5,19H,1-3H3,(H,18,22)/b13-5-InChIKey
KDHPQGOOBGWHPN-ACAGNQJTSA-NSynonyms
35DIMETHYL4((6METHYL3OXO4THIOXO(5HYDROFURANO(34C)PYRIDINYLIDENE))METHYL)PYRROLE2CARBONITRILE
35DIMETHYL4((Z)(6METHYL3OXO4SULFANYLIDENE5HFURO(34C)PYRIDIN1YLIDENE)METHYL)1HPYRROLE2CARBONITRILE
35dimethyl4((Z)(6methyl3oxo4thioxo45dihydrofuro(34c)pyridin1(3H)ylidene)methyl)1Hpyrrole2carbonitrile
CC1=CC2=C(C(=S)N1)C(=O)OC2=CC3=C(NC(=C3C)C#N)C
InChI=1SC16H13N3O2Sc1741113(2116(20)14(11)15(22)187)5108(2)12(617)199(10)3h4519H13H3(H1822)b135
MFCD03764200
N#Cc1(nH)c(c(c1C)C=C1OC(=O)c2c1cc(C)(nH)c2=S)C
ZINC000004568096
ZINC04568096
ZINC4568096
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