Vitas-M small molecule compound
methyl [6'-amino-3'-(4-butoxyphenyl)-5'-cyano-2-oxo-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1(2H)-yl]acetate
Catalog ID
STK765245
SMILES CCCCOc1ccc(cc1)c1n[nH]c2c1C1(C(=C(O2)N)C#N)c2ccccc2N(C1=O)CC(=O)OC
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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 C27H25N5O5 MW 499.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O5/c1-3-4-13-36-17-11-9-16(10-12-17)23-22-25(31-30-23)37-24(29)19(14-28)27(22)18-7-5-6-8-20(18)32(26(27)34)15-21(33)35-2/h5-12H,3-4,13,15,29H2,1-2H3,(H,30,31)InChIKey
QTPUDUPWTVOFCJ-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=C(C=C1)C2=C3C(=NN2)OC(=C(C34C5=CC=CC=C5N(C4=O)CC(=O)OC)C#N)N
CCCCOc1ccc(cc1)c1n(nH)c2c1C1(C(=C(O2)N)C#N)c2ccccc2N(C1=O)CC(=O)OC
InChI=1SC27H25N5O5c13413361711916(101217)232225(313023)3724(29)19(1428)27(22)18756820(18)32(26(27)34)1521(33)352h512H34131529H212H3(H3031)
methyl(6amino3(4butoxyphenyl)5cyano2oxo1Hspiro(indole34pyrano(23c)pyrazol)1(2H)yl)acetate
METHYL2(6AMINO3(4BUTOXYPHENYL)5CYANO2OXOSPIRO(2HPYRANO(23C)PYRAZOLE43INDOLE)1YL)ACETATE
MFCD03035503
ZINC000008439715
ZINC000008439716
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