Vitas-M small molecule compound

6'-amino-1-(2-chloro-6-fluorobenzyl)-3'-methyl-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile

Catalog ID
STL041092
SMILES N#CC1=C(N)Oc2c(C31c1ccccc1N(C3=O)Cc1c(F)cccc1Cl)c(C)[nH]n2

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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 C22H15ClFN5O2 MW 435.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClFN5O2/c1-11-18-20(28-27-11)31-19(26)14(9-25)22(18)13-5-2-3-8-17(13)29(21(22)30)10-12-15(23)6-4-7-16(12)24/h2-8H,10,26H2,1H3,(H,27,28)
InChIKey
DSJZDPBXXANXNH-UHFFFAOYSA-N
Synonyms
861634-45-9
6AMINO1((2CHLORO6FLUOROPHENYL)METHYL)3METHYL2OXOSPIRO(2HPYRANO(23C)PYRAZOLE43INDOLE)5CARBONITRILE
6amino1(2chloro6fluorobenzyl)3methyl2oxo12dihydro2Hspiro(indole34pyrano(23c)pyrazole)5carbonitrile
6amino1(2chloro6fluorobenzyl)3methyl2oxo1Hspiro(indoline34pyrano(23c)pyrazole)5carbonitrile
861634459
CC1=C2C(=NN1)OC(=C(C23C4=CC=CC=C4N(C3=O)CC5=C(C=CC=C5Cl)F)C#N)N
InChI=1SC22H15ClFN5O2c1111820(282711)3119(26)14(925)22(18)13523817(13)29(21(22)30)101215(23)64716(12)24h28H1026H21H3(H2728)
MFCD05729970
N#CC1=C(N)Oc2c(C31c1ccccc1N(C3=O)Cc1c(F)cccc1Cl)c(C)(nH)n2
N#CC1=C(N)Oc2c(C31c1ccccc1N(C3=O)Cc1c(F)cccc1Cl)c(C)n(nH)2
ZINC000009374969
ZINC000009374970

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Available files

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