Vitas-M small molecule compound
methyl [6'-amino-5'-cyano-2-oxo-3'-(propan-2-yl)-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1(2H)-yl]acetate
Catalog ID
STK765243
SMILES COC(=O)CN1c2ccccc2C2(C1=O)C(=C(N)Oc1c2c(n[nH]1)C(C)C)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 C20H19N5O4 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4/c1-10(2)16-15-18(24-23-16)29-17(22)12(8-21)20(15)11-6-4-5-7-13(11)25(19(20)27)9-14(26)28-3/h4-7,10H,9,22H2,1-3H3,(H,23,24)InChIKey
VXECYIALLNBGEE-UHFFFAOYSA-NSynonyms
CC(C)C1=C2C(=NN1)OC(=C(C23C4=CC=CC=C4N(C3=O)CC(=O)OC)C#N)N
COC(=O)CN1c2ccccc2C2(C1=O)C(=C(N)Oc1c2c(n(nH)1)C(C)C)C#N
InChI=1SC20H19N5O4c110(2)161518(242316)2917(22)12(821)20(15)11645713(11)25(19(20)27)914(26)283h4710H922H213H3(H2324)
methyl(6amino5cyano2oxo3(propan2yl)1Hspiro(indole34pyrano(23c)pyrazol)1(2H)yl)acetate
METHYL2(6AMINO5CYANO2OXO3PROPAN2YLSPIRO(2HPYRANO(23C)PYRAZOLE43INDOLE)1YL)ACETATE
METHYL2(6AMINO5CYANO3(METHYLETHYL)11OXOSPIRO(4HPYRANO(32D)PYRAZOLE43INDOLINE)10YL)ACETATE
MFCD03035501
ZINC000000718404
ZINC000000718406
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