Vitas-M small molecule compound
4-hydroxy-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK563851
SMILES Cc1n[nH]/c(=N\C(=O)c2c(=O)[nH]c3c(c2O)CCCC3)/s1
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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 C13H14N4O3S MW 306.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O3S/c1-6-16-17-13(21-6)15-12(20)9-10(18)7-4-2-3-5-8(7)14-11(9)19/h2-5H2,1H3,(H2,14,18,19)(H,15,17,20)InChIKey
VEHRZYQIOKQEGN-UHFFFAOYSA-NSynonyms
488135-51-9488135519
4hydroxyN((2E)5methyl134thiadiazol2(3H)ylidene)2oxo125678hexahydroquinoline3carboxamide
4hydroxyN(5methyl134thiadiazol2yl)2oxo5678tetrahydro1Hquinoline3carboxamide
CC1=NN=C(S1)NC(=O)C2=C(C3=C(CCCC3)NC2=O)O
Cc1n(nH)c(=NC(=O)c2c(=O)(nH)c3c(c2O)CCCC3)s1
InChI=1SC13H14N4O3Sc16161713(216)1512(20)910(18)742358(7)1411(9)19h25H21H3(H2141819)(H151720)
MFCD03811949
ZINC000100840455
ZINC100840455
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