Vitas-M small molecule compound
methyl 2-{[(4-butoxyphenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK424358
SMILES CCCCOc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCC(C2)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 C22H27NO4S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4S/c1-4-5-12-27-16-9-7-15(8-10-16)20(24)23-21-19(22(25)26-3)17-11-6-14(2)13-18(17)28-21/h7-10,14H,4-6,11-13H2,1-3H3,(H,23,24)InChIKey
LNDUAGWPDKUOCW-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC
InChI=1SC22H27NO4Sc1451227169715(81016)20(24)232119(22(25)263)1711614(2)1318(17)2821h71014H461113H213H3(H2324)
methyl2(((4butoxyphenyl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((4butoxybenzoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD01922225
ZINC000002753340
ZINC000002753341
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