Vitas-M small molecule compound
N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Catalog ID
STK849404
SMILES CCc1n[nH]/c(=N\C(=O)C2OC(=O)c3c(C2)ccc(c3)C)/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 C15H15N3O3S MW 317.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O3S/c1-3-12-17-18-15(22-12)16-13(19)11-7-9-5-4-8(2)6-10(9)14(20)21-11/h4-6,11H,3,7H2,1-2H3,(H,16,18,19)InChIKey
AYHZHOVAIQJGLO-UHFFFAOYSA-NSynonyms
853890-33-2853890332
CCC1=NN=C(S1)NC(=O)C2CC3=C(C=C(C=C3)C)C(=O)O2
CCc1n(nH)c(=NC(=O)C2OC(=O)c3c(C2)ccc(c3)C)s1
InChI=1SC15H15N3O3Sc1312171815(2212)1613(19)1179548(2)610(9)14(20)2111h4611H37H212H3(H161819)
MFCD07793550
N((2E)5ethyl134thiadiazol2(3H)ylidene)7methyl1oxo34dihydro1Hisochromene3carboxamide
N(5ETHYL(134THIADIAZOL2YL))(7METHYL1OXOISOCHROMAN3YL)CARBOXAMIDE
N(5ETHYL134THIADIAZOL2YL)7METHYL1OXO34DIHYDROISOCHROMENE3CARBOXAMIDE
ZINC000008971296
ZINC000008971298
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