Vitas-M small molecule compound
prop-2-en-1-yl 6'-amino-1-(2-amino-2-oxoethyl)-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Catalog ID
STL015988
SMILES C=CCOC(=O)C1=C(C)OC(=C(C21c1ccccc1N(C2=O)CC(=O)N)C#N)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 C20H18N4O5 MW 394.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5/c1-3-8-28-18(26)16-11(2)29-17(23)13(9-21)20(16)12-6-4-5-7-14(12)24(19(20)27)10-15(22)25/h3-7H,1,8,10,23H2,2H3,(H2,22,25)InChIKey
YDWHRKATPTXNSH-UHFFFAOYSA-NSynonyms
(R)allyl2amino1(2amino2oxoethyl)3cyano6methyl2oxospiro(indoline34pyran)5carboxylate
C=CCOC(=O)C1=C(C)OC(=C((C@@)21c1ccccc1N(C2=O)CC(=O)N)C#N)N
CC1=C(C2(C3=CC=CC=C3N(C2=O)CC(=O)N)C(=C(O1)N)C#N)C(=O)OCC=C
InChI=1SC20H18N4O5c1382818(26)1611(2)2917(23)13(921)20(16)12645714(12)24(19(20)27)1015(22)25h37H181023H22H3(H22225)
MFCD14757555
prop2en1yl6amino1(2amino2oxoethyl)5cyano2methyl2oxo12dihydrospiro(indole34pyran)3carboxylate
PROP2ENYL6AMINO1(2AMINO2OXOETHYL)5CYANO2METHYL2OXOSPIRO(INDOLE34PYRAN)3CARBOXYLATE
ZINC000002231151
ZINC000002497120
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