Vitas-M small molecule compound

ethyl 3-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-1-methyl-1H-pyrazole-5-carboxylate

Catalog ID
STK956505
SMILES CCOC(=O)c1cc(nn1C)C(=O)Nc1sc2c(c1C(=O)OCC)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 C19H23N3O5S MW 405.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O5S/c1-4-26-18(24)13-10-12(21-22(13)3)16(23)20-17-15(19(25)27-5-2)11-8-6-7-9-14(11)28-17/h10H,4-9H2,1-3H3,(H,20,23)
InChIKey
CSDWRQIRXZMAPT-UHFFFAOYSA-N
Synonyms
494791-25-2
494791252
CCOC(=O)C1=CC(=NN1C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC
ethyl3((3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)1methyl1Hpyrazole5carboxylate
ethyl5((3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)2methylpyrazole3carboxylate
InChI=1SC19H23N3O5Sc142618(24)131012(2122(13)3)16(23)201715(19(25)2752)11867914(11)2817h10H49H213H3(H2023)
MFCD03075396
ZINC000002765223
ZINC02765223
ZINC2765223

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Available files

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