Vitas-M small molecule compound
6'-amino-1-ethyl-3'-methyl-1'-(naphthalen-2-yl)-5-nitro-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Catalog ID
STK980318
SMILES CCN1c2ccc(cc2C2(C1=O)C(=C(N)Oc1c2c(C)nn1c1ccc2c(c1)cccc2)C#N)[N+](=O)[O-]
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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 C27H20N6O4 MW 492.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N6O4/c1-3-31-22-11-10-19(33(35)36)13-20(22)27(26(31)34)21(14-28)24(29)37-25-23(27)15(2)30-32(25)18-9-8-16-6-4-5-7-17(16)12-18/h4-13H,3,29H2,1-2H3InChIKey
SNKWEEAVKQWJOQ-UHFFFAOYSA-NSynonyms
6amino1ethyl3methyl1(naphthalen2yl)5nitro2oxo12dihydro1Hspiro(indole34pyrano(23c)pyrazole)5carbonitrile
6AMINO1ETHYL3METHYL1NAPHTHALEN2YL5NITRO2OXOSPIRO(INDOLE34PYRANO(23C)PYRAZOLE)5CARBONITRILE
CCN1C2=C(C=C(C=C2)(N+)(=O)(O))C3(C1=O)C(=C(OC4=C3C(=NN4C5=CC6=CC=CC=C6C=C5)C)N)C#N
CCN1c2ccc(cc2C2(C1=O)C(=C(N)Oc1c2c(C)nn1c1ccc2c(c1)cccc2)C#N)(N+)(=O)(O)
InChI=1SC27H20N6O4c133122111019(33(35)36)1320(22)27(26(31)34)21(1428)24(29)372523(27)15(2)3032(25)189816645717(16)1218h413H329H212H3
MFCD05994521
ZINC000015016718
ZINC000015016719
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