Vitas-M small molecule compound
methyl 4-cyano-3-methyl-5-{[(6-nitro-2-oxo-2H-chromen-3-yl)carbonyl]amino}thiophene-2-carboxylate
Catalog ID
STK464477
SMILES COC(=O)c1sc(c(c1C)C#N)NC(=O)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]
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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 C18H11N3O7S MW 413.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11N3O7S/c1-8-12(7-19)16(29-14(8)18(24)27-2)20-15(22)11-6-9-5-10(21(25)26)3-4-13(9)28-17(11)23/h3-6H,1-2H3,(H,20,22)InChIKey
QAWJKFMRFVKIQH-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(C=CC(=C3)(N+)(=O)(O))OC2=O)C(=O)OC
COC(=O)c1sc(c(c1C)C#N)NC(=O)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
InChI=1SC18H11N3O7Sc1812(719)16(2914(8)18(24)272)2015(22)1169510(21(25)26)3413(9)2817(11)23h36H12H3(H2022)
methyl4cyano3methyl5(((6nitro2oxo2Hchromen3yl)carbonyl)amino)thiophene2carboxylate
METHYL4CYANO3METHYL5((6NITRO2OXOCHROMEN3YL)CARBONYLAMINO)THIOPHENE2CARBOXYLATE
METHYL4CYANO3METHYL5((6NITRO2OXOCHROMENE3CARBONYL)AMINO)THIOPHENE2CARBOXYLATE
MFCD06624741
ZINC000002872553
ZINC02872553
ZINC2872553
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