Vitas-M small molecule compound
4-{6-[(4-butylphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}-2-ethoxyphenol
Catalog ID
STL406954
SMILES CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(c(c1)OCC)O)C)c1ccccc1
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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 C37H36N6O2 MW 596.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H36N6O2/c1-4-6-12-25-17-20-27(21-18-25)38-35-37-40-36-33(24(3)41-43(36)28-13-8-7-9-14-28)34(26-19-22-31(44)32(23-26)45-5-2)42(37)30-16-11-10-15-29(30)39-35/h7-11,13-23,34,44H,4-6,12H2,1-3H3,(H,38,39)InChIKey
WQDOXZLKKOFTTL-UHFFFAOYSA-NSynonyms
4(6((4butylphenyl)amino)10methyl8phenyl811dihydropyrazolo(3445)pyrimido(12a)quinoxalin11yl)2ethoxyphenol
CCCCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NC5=C(C4C6=CC(=C(C=C6)O)OCC)C(=NN5C7=CC=CC=C7)C
InChI=1SC37H36N6O2c1461225172027(211825)383537403633(24(3)4143(36)28138791428)34(26192231(44)32(2326)4552)42(37)301611101529(30)3935h71113233444H4612H213H3(H3839)
MFCD03694205
ZINC000001853340
ZINC000001853342
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