Vitas-M small molecule compound
6'-amino-1-benzyl-5-bromo-3'-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Catalog ID
STK207939
SMILES N#CC1=C(N)Oc2c(C31C(=O)N(c1c3cc(Br)cc1)Cc1ccccc1)c(C)n[nH]2
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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 C22H16BrN5O2 MW 462.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN5O2/c1-12-18-20(27-26-12)30-19(25)16(10-24)22(18)15-9-14(23)7-8-17(15)28(21(22)29)11-13-5-3-2-4-6-13/h2-9H,11,25H2,1H3,(H,26,27)InChIKey
PMCJOBOJDHJROE-UHFFFAOYSA-NSynonyms
6AMINO14BROMO3METHYL11OXO10BENZYLSPIRO(4HPYRANO(32D)PYRAZOLE43INDOLINE)5CARBONITRILE
6amino1benzyl5bromo3methyl2oxo12dihydro1Hspiro(indole34pyrano(23c)pyrazole)5carbonitrile
6amino1benzyl5bromo3methyl2oxospiro(2Hpyrano(23c)pyrazole43indole)5carbonitrile
CC1=C2C(=NN1)OC(=C(C23C4=C(C=CC(=C4)Br)N(C3=O)CC5=CC=CC=C5)C#N)N
InChI=1SC22H16BrN5O2c1121820(272612)3019(25)16(1024)22(18)15914(23)7817(15)28(21(22)29)11135324613h29H1125H21H3(H2627)
MFCD06649427
N#CC1=C(N)Oc2c(C31C(=O)N(c1c3cc(Br)cc1)Cc1ccccc1)c(C)n(nH)2
ZINC000009972399
ZINC000009972400
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