Vitas-M small molecule compound
3'-butyl 5'-ethyl 2'-amino-6'-(2-ethoxy-2-oxoethyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
Catalog ID
STK729737
SMILES CCCCOC(=O)C1=C(N)OC(=C(C21c1ccccc1N(C2=O)CC=C)C(=O)OCC)CC(=O)OCC
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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 C27H32N2O8 MW 512.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O8/c1-5-9-15-36-25(32)22-23(28)37-19(16-20(30)34-7-3)21(24(31)35-8-4)27(22)17-12-10-11-13-18(17)29(14-6-2)26(27)33/h6,10-13H,2,5,7-9,14-16,28H2,1,3-4H3InChIKey
QQJVVTWNQSECOY-UHFFFAOYSA-NSynonyms
(S)3butyl5ethyl1allyl2amino6(2ethoxy2oxoethyl)2oxospiro(indoline34pyran)35dicarboxylate
3butyl5ethyl2amino6(2ethoxy2oxoethyl)2oxo1(prop2en1yl)12dihydrospiro(indole34pyran)35dicarboxylate
3OBUTYL5OETHYL2AMINO6(2ETHOXY2OXOETHYL)2OXO1PROP2ENYLSPIRO(INDOLE34PYRAN)35DICARBOXYLATE
CCCCOC(=O)C1=C(N)OC(=C((C@)21c1ccccc1N(C2=O)CC=C)C(=O)OCC)CC(=O)OCC
CCCCOC(=O)C1=C(OC(=C(C12C3=CC=CC=C3N(C2=O)CC=C)C(=O)OCC)CC(=O)OCC)N
InChI=1SC27H32N2O8c159153625(32)2223(28)3719(1620(30)3473)21(24(31)3584)27(22)171210111318(17)29(1462)26(27)33h61013H2579141628H2134H3
MFCD13371785
ZINC000009695168
ZINC000009695169
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