Vitas-M small molecule compound
ethyl 2-{[4-(ethoxycarbonyl)-5-(3-methoxyphenyl)-3-oxocyclohex-1-en-1-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK773148
SMILES CCOC(=O)C1C(=O)C=C(CC1c1cccc(c1)OC)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 C27H31NO6S MW 497.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6S/c1-4-33-26(30)23-20(16-9-8-10-18(13-16)32-3)14-17(15-21(23)29)28-25-24(27(31)34-5-2)19-11-6-7-12-22(19)35-25/h8-10,13,15,20,23,28H,4-7,11-12,14H2,1-3H3InChIKey
HOTIJCFGISSPOB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC(=CC1=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C4=CC(=CC=C4)OC
ethyl2((4(ethoxycarbonyl)5(3methoxyphenyl)3oxocyclohex1en1yl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4ethoxycarbonyl5(3methoxyphenyl)3oxocyclohexen1yl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H31NO6Sc143326(30)2320(16981018(1316)323)1417(1521(23)29)282524(27(31)3452)1911671222(19)3525h8101315202328H47111214H213H3
MFCD03821340
ZINC000001079983
ZINC000001079986
Check stock
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