Vitas-M small molecule compound

methyl 2-{[(3-methyl-1-benzofuran-2-yl)carbonyl]amino}-4-(pyridin-4-yl)thiophene-3-carboxylate

Catalog ID
STK462249
SMILES COC(=O)c1c(scc1c1ccncc1)NC(=O)c1oc2c(c1C)cccc2

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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 C21H16N2O4S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O4S/c1-12-14-5-3-4-6-16(14)27-18(12)19(24)23-20-17(21(25)26-2)15(11-28-20)13-7-9-22-10-8-13/h3-11H,1-2H3,(H,23,24)
InChIKey
ZDJFKEUVFDRREO-UHFFFAOYSA-N
Synonyms

CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C(=CS3)C4=CC=NC=C4)C(=O)OC
InChI=1SC21H16N2O4Sc11214534616(14)2718(12)19(24)232017(21(25)262)15(112820)13792210813h311H12H3(H2324)
methyl2(((3methyl1benzofuran2yl)carbonyl)amino)4(pyridin4yl)thiophene3carboxylate
METHYL2((3METHYL1BENZOFURAN2CARBONYL)AMINO)4PYRIDIN4YLTHIOPHENE3CARBOXYLATE
MFCD06004741
ZINC000001055026
ZINC01055026
ZINC1055026

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.