Vitas-M small molecule compound
6-amino-5-cyano-3,4',4',6'-tetramethyl-2'-oxo-1H,4'H-spiro[pyrano[2,3-c]pyrazole-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl 2-methoxybenzoate
Catalog ID
STK203037
SMILES N#CC1=C(N)Oc2c(C31c1cc(cc4c1N(C3=O)C(C)(C)C=C4C)OC(=O)c1ccccc1OC)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 C29H25N5O5 MW 523.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O5/c1-14-12-28(3,4)34-23-18(14)10-16(38-26(35)17-8-6-7-9-21(17)37-5)11-19(23)29(27(34)36)20(13-30)24(31)39-25-22(29)15(2)32-33-25/h6-12H,31H2,1-5H3,(H,32,33)InChIKey
KVSWWIIWLDEQSB-UHFFFAOYSA-NSynonyms
6amino5cyano3446tetramethyl2oxo1H4Hspiro(pyrano(23c)pyrazole41pyrrolo(321ij)quinolin)8yl2methoxybenzoate
CC1=CC(N2C3=C(C=C(C=C13)OC(=O)C4=CC=CC=C4OC)C5(C2=O)C(=C(OC6=NNC(=C56)C)N)C#N)(C)C
InChI=1SC29H25N5O5c1141228(34)342318(14)1016(3826(35)17867921(17)375)1119(23)29(27(34)36)20(1330)24(31)392522(29)15(2)323325h612H31H215H3(H3233)
MFCD05839458
N#CC1=C(N)Oc2c(C31c1cc(cc4c1N(C3=O)C(C)(C)C=C4C)OC(=O)c1ccccc1OC)c(C)n(nH)2
ZINC000001076877
ZINC000001076878
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