Vitas-M small molecule compound
ethyl 1-methyl-3-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-1H-pyrazole-5-carboxylate
Catalog ID
STK956443
SMILES CCCOC(=O)c1c(NC(=O)c2nn(c(c2)C(=O)OCC)C)sc2c1CCCC2
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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 C20H25N3O5S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5S/c1-4-10-28-20(26)16-12-8-6-7-9-15(12)29-18(16)21-17(24)13-11-14(23(3)22-13)19(25)27-5-2/h11H,4-10H2,1-3H3,(H,21,24)InChIKey
RWQCWDPRQOHNPS-UHFFFAOYSA-NSynonyms
494791-15-0494791150
CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C(=C3)C(=O)OCC)C
ethyl1methyl3((3(propoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)1Hpyrazole5carboxylate
ethyl2methyl5((3propoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)pyrazole3carboxylate
InChI=1SC20H25N3O5Sc14102820(26)1612867915(12)2918(16)2117(24)131114(23(3)2213)19(25)2752h11H410H213H3(H2124)
MFCD03075322
ZINC000002760710
ZINC02760710
ZINC2760710
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