Vitas-M small molecule compound
ethyl 5'-amino-1-[2-(tert-butylamino)-2-oxoethyl]-6'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
Catalog ID
STK785608
SMILES CCOC(=O)c1c(C)sc2c1OC(=C(C12C(=O)N(c2c1cccc2)CC(=O)NC(C)(C)C)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 C25H26N4O5S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O5S/c1-6-33-22(31)18-13(2)35-20-19(18)34-21(27)15(11-26)25(20)14-9-7-8-10-16(14)29(23(25)32)12-17(30)28-24(3,4)5/h7-10H,6,12,27H2,1-5H3,(H,28,30)InChIKey
VKUUOESXBPSCDG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1OC(=C(C23C4=CC=CC=C4N(C3=O)CC(=O)NC(C)(C)C)C#N)N)C
ethyl5amino1(2(tertbutylamino)2oxoethyl)6cyano2methyl2oxo12dihydrospiro(indole37thieno(32b)pyran)3carboxylate
ETHYL5AMINO1(2(TERTBUTYLAMINO)2OXOETHYL)6CYANO2METHYL2OXOSPIRO(INDOLE37THIENO(32B)PYRAN)3CARBOXYLATE
InChI=1SC25H26N4O5Sc163322(31)1813(2)352019(18)3421(27)15(1126)25(20)149781016(14)29(23(25)32)1217(30)2824(34)5h710H61227H215H3(H2830)
MFCD07800088
ZINC000012413806
ZINC000012413807
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