Vitas-M small molecule compound
methyl 4-cyano-3-methyl-5-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}thiophene-2-carboxylate
Catalog ID
STK390602
SMILES COC(=O)c1sc(c(c1C)C#N)NC(=O)/C=C/c1cccc(c1)[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 C17H13N3O5S MW 371.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S/c1-10-13(9-18)16(26-15(10)17(22)25-2)19-14(21)7-6-11-4-3-5-12(8-11)20(23)24/h3-8H,1-2H3,(H,19,21)/b7-6+InChIKey
OPCMFMAVNIXHKQ-VOTSOKGWSA-NSynonyms
CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)OC
COC(=O)c1sc(c(c1C)C#N)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC17H13N3O5Sc11013(918)16(2615(10)17(22)252)1914(21)761143512(811)20(23)24h38H12H3(H1921)b76+
methyl4cyano3methyl5(((2E)3(3nitrophenyl)prop2enoyl)amino)thiophene2carboxylate
METHYL4CYANO3METHYL5(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)THIOPHENE2CARBOXYLATE
METHYL5((2E)3(3NITROPHENYL)PROP2ENOYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
MFCD03245565
ZINC000001851602
ZINC01851602
ZINC1851602
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