Vitas-M small molecule compound

methyl [6'-amino-5'-cyano-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate

Catalog ID
STL056911
SMILES C=CCN1c2ccccc2C2(C1=O)C(=C(N)Oc1c2c([nH]n1)CC(=O)OC)C#N

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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 C20H17N5O4 MW 391.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O4/c1-3-8-25-14-7-5-4-6-11(14)20(19(25)27)12(10-21)17(22)29-18-16(20)13(23-24-18)9-15(26)28-2/h3-7H,1,8-9,22H2,2H3,(H,23,24)
InChIKey
DPWWRQGBRUYWCN-UHFFFAOYSA-N
Synonyms
674807-62-6
674807626
C=CCN1c2ccccc2C2(C1=O)C(=C(N)Oc1c2c((nH)n1)CC(=O)OC)C#N
C=CCN1c2ccccc2C2(C1=O)C(=C(N)Oc1c2c(n(nH)1)CC(=O)OC)C#N
COC(=O)CC1=C2C(=NN1)OC(=C(C23C4=CC=CC=C4N(C3=O)CC=C)C#N)N
InChI=1SC20H17N5O4c1382514754611(14)20(19(25)27)12(1021)17(22)291816(20)13(232418)915(26)282h37H18922H22H3(H2324)
methyl(6amino5cyano2oxo1(prop2en1yl)12dihydro2Hspiro(indole34pyrano(23c)pyrazol)3yl)acetate
methyl2(1allyl6amino5cyano2oxo1Hspiro(indoline34pyrano(23c)pyrazol)3yl)acetate
METHYL2(6AMINO5CYANO11OXO10PROP2ENYLSPIRO(4HPYRANO(23C)PYRAZOLE43INDOLINE)3YL)ACETATE
METHYL2(6AMINO5CYANO2OXO1PROP2ENYLSPIRO(2HPYRANO(23C)PYRAZOLE43INDOLE)3YL)ACETATE
MFCD05241093
ZINC000005185153
ZINC000006733514

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Available files

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