Vitas-M small molecule compound

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

Catalog ID
STK765581
SMILES N#CC1=C(N)Oc2c(C31C(=O)Nc1c3c(Br)c(cc1)C)c(n[nH]2)c1ccc2c(c1)OCO2

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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 C22H14BrN5O4 MW 492.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrN5O4/c1-9-2-4-12-15(17(9)23)22(21(29)26-12)11(7-24)19(25)32-20-16(22)18(27-28-20)10-3-5-13-14(6-10)31-8-30-13/h2-6H,8,25H2,1H3,(H,26,29)(H,27,28)
InChIKey
BHPKIIGRTCYGHM-UHFFFAOYSA-N
Synonyms

3(2HBENZO(34D)13DIOXOLAN5YL)6AMINO13BROMO14METHYL11OXOSPIRO(4HPYRANO(32D)PYRAZOLE43INDOLINE)5CARBONITRILE
6amino3(13benzodioxol5yl)4bromo5methyl2oxo12dihydro1Hspiro(indole34pyrano(23c)pyrazole)5carbonitrile
6AMINO3(13BENZODIOXOL5YL)4BROMO5METHYL2OXOSPIRO(1HINDOLE342HPYRANO(23C)PYRAZOLE)5CARBONITRILE
CC1=C(C2=C(C=C1)NC(=O)C23C(=C(OC4=NNC(=C34)C5=CC6=C(C=C5)OCO6)N)C#N)Br
InChI=1SC22H14BrN5O4c19241215(17(9)23)22(21(29)2612)11(724)19(25)322016(22)18(272820)10351314(610)3183013h26H825H21H3(H2629)(H2728)
MFCD03035672
N#CC1=C(N)Oc2c(C31C(=O)Nc1c3c(Br)c(cc1)C)c(n(nH)2)c1ccc2c(c1)OCO2
ZINC000000718445
ZINC000000718446

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Available files

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