Vitas-M small molecule compound
butyl 6'-amino-5-bromo-3'-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate
Catalog ID
STL015983
SMILES CCCCOC(=O)C1=C(N)Oc2c(C31C(=O)Nc1c3cc(Br)cc1)c(C)n[nH]2
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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 C19H19BrN4O4 MW 447.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN4O4/c1-3-4-7-27-17(25)14-15(21)28-16-13(9(2)23-24-16)19(14)11-8-10(20)5-6-12(11)22-18(19)26/h5-6,8H,3-4,7,21H2,1-2H3,(H,22,26)(H,23,24)InChIKey
CNPWAMBIXOKEKW-UHFFFAOYSA-NSynonyms
(S)butyl6amino5bromo3methyl2oxo1Hspiro(indoline34pyrano(23c)pyrazole)5carboxylate
butyl6amino5bromo3methyl2oxo12dihydro1Hspiro(indole34pyrano(23c)pyrazole)5carboxylate
BUTYL6AMINO5BROMO3METHYL2OXOSPIRO(1HINDOLE342HPYRANO(23C)PYRAZOLE)5CARBOXYLATE
CCCCOC(=O)C1=C(N)Oc2c((C@@)31C(=O)Nc1c3cc(Br)cc1)c(C)n(nH)2
CCCCOC(=O)C1=C(N)Oc2c(C31C(=O)Nc1c3cc(Br)cc1)c(C)n(nH)2
CCCCOC(=O)C1=C(OC2=NNC(=C2C13C4=C(C=CC(=C4)Br)NC3=O)C)N
InChI=1SC19H19BrN4O4c13472717(25)1415(21)281613(9(2)232416)19(14)11810(20)5612(11)2218(19)26h568H34721H212H3(H2226)(H2324)
MFCD18186907
ZINC000009350084
ZINC000009695184
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