Vitas-M small molecule compound
ethyl 5'-amino-6'-cyano-1-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
Catalog ID
STK688891
SMILES CCOC(=O)c1c(C)sc2c1OC(=C(C12C(=O)N(c2c1cccc2)CC(=O)Nc1cccc(c1)OC)C#N)N
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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 C28H24N4O6S MW 544.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O6S/c1-4-37-26(34)22-15(2)39-24-23(22)38-25(30)19(13-29)28(24)18-10-5-6-11-20(18)32(27(28)35)14-21(33)31-16-8-7-9-17(12-16)36-3/h5-12H,4,14,30H2,1-3H3,(H,31,33)InChIKey
QBTOZGGCZRFJAP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1OC(=C(C23C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC(=CC=C5)OC)C#N)N)C
ethyl5amino6cyano1(2((3methoxyphenyl)amino)2oxoethyl)2methyl2oxo12dihydrospiro(indole37thieno(32b)pyran)3carboxylate
ETHYL5AMINO6CYANO1(2(3METHOXYANILINO)2OXOETHYL)2METHYL2OXOSPIRO(INDOLE37THIENO(32B)PYRAN)3CARBOXYLATE
InChI=1SC28H24N4O6Sc143726(34)2215(2)392423(22)3825(30)19(1329)28(24)1810561120(18)32(27(28)35)1421(33)311687917(1216)363h512H41430H213H3(H3133)
MFCD07658936
ZINC000098009059
ZINC000098009060
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