Vitas-M small molecule compound

methyl 6'-amino-2-oxo-3'-propyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate

Catalog ID
STK207938
SMILES CCCc1n[nH]c2c1C1(C(=O)Nc3c1cccc3)C(=C(O2)N)C(=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 C18H18N4O4 MW 354.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O4/c1-3-6-11-12-15(22-21-11)26-14(19)13(16(23)25-2)18(12)9-7-4-5-8-10(9)20-17(18)24/h4-5,7-8H,3,6,19H2,1-2H3,(H,20,24)(H,21,22)
InChIKey
DJJCSWWZFTUHLZ-UHFFFAOYSA-N
Synonyms
848992-72-3
848992723
CCCC1=C2C(=NN1)OC(=C(C23C4=CC=CC=C4NC3=O)C(=O)OC)N
CCCc1n(nH)c2c1C1(C(=O)Nc3c1cccc3)C(=C(O2)N)C(=O)OC
InChI=1SC18H18N4O4c136111215(222111)2614(19)13(16(23)252)18(12)9745810(9)2017(18)24h4578H3619H212H3(H2024)(H2122)
METHYL6AMINO11OXO3PROPYLSPIRO(4HPYRANO(32D)PYRAZOLE43INDOLINE)5CARBOXYLATE
methyl6amino2oxo3propyl12dihydro1Hspiro(indole34pyrano(23c)pyrazole)5carboxylate
methyl6amino2oxo3propyl1Hspiro(indoline34pyrano(23c)pyrazole)5carboxylate
METHYL6AMINO2OXO3PROPYLSPIRO(1HINDOLE342HPYRANO(23C)PYRAZOLE)5CARBOXYLATE
MFCD05679125
ZINC000004741516
ZINC000004741517

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.