Vitas-M small molecule compound
ethyl 5-({3-[(butan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)-1-methyl-1H-pyrazole-3-carboxylate
Catalog ID
STK956020
SMILES CCOC(=O)c1nn(c(c1)C(=O)Nc1sc2c(c1C(=O)OC(CC)C)CCCC2)C
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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 C21H27N3O5S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5S/c1-5-12(3)29-21(27)17-13-9-7-8-10-16(13)30-19(17)22-18(25)15-11-14(23-24(15)4)20(26)28-6-2/h11-12H,5-10H2,1-4H3,(H,22,25)InChIKey
DZXQBVOOTRLASZ-UHFFFAOYSA-NSynonyms
496834-91-4496834914
CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3C)C(=O)OCC
ethyl5((3((butan2yloxy)carbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)1methyl1Hpyrazole3carboxylate
ethyl5((3butan2yloxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)1methylpyrazole3carboxylate
InChI=1SC21H27N3O5Sc1512(3)2921(27)17139781016(13)3019(17)2218(25)151114(2324(15)4)20(26)2862h1112H510H214H3(H2225)
MFCD03074048
ZINC000000650531
ZINC000000650532
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