Vitas-M small molecule compound
6-amino-3,4',4',6',8'-pentamethyl-2'-oxo-6'-phenyl-5',6'-dihydro-1H,4'H-spiro[pyrano[2,3-c]pyrazole-4,1'-pyrrolo[3,2,1-ij]quinoline]-5-carbonitrile
Catalog ID
STK210057
SMILES N#CC1=C(N)Oc2c(C31C(=O)N1c4c3cc(C)cc4C(CC1(C)C)(C)c1ccccc1)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 C28H27N5O2 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O2/c1-15-11-18-22-19(12-15)28(20(13-29)23(30)35-24-21(28)16(2)31-32-24)25(34)33(22)26(3,4)14-27(18,5)17-9-7-6-8-10-17/h6-12H,14,30H2,1-5H3,(H,31,32)InChIKey
TWRHJGJERGJLIP-UHFFFAOYSA-NSynonyms
6amino34468pentamethyl2oxo6phenyl56dihydro1H4Hspiro(pyrano(23c)pyrazole41pyrrolo(321ij)quinoline)5carbonitrile
CC1=CC2=C3C(=C1)C4(C(=C(OC5=NNC(=C54)C)N)C#N)C(=O)N3C(CC2(C)C6=CC=CC=C6)(C)C
InChI=1SC28H27N5O2c11511182219(1215)28(20(1329)23(30)352421(28)16(2)313224)25(34)33(22)26(34)1427(185)1797681017h612H1430H215H3(H3132)
MFCD05843917
N#CC1=C(N)Oc2c(C31C(=O)N1c4c3cc(C)cc4C(CC1(C)C)(C)c1ccccc1)c(C)n(nH)2
ZINC000010035286
ZINC000010035290
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