Vitas-M small molecule compound
2'-(4-methoxyphenyl)-5-nitro-1',10b'-dihydrospiro[indole-3,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2(1H)-one
Catalog ID
STL286778
SMILES COc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12C(=O)Nc2c1cc(cc2)[N+](=O)[O-]
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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 C24H18N4O5 MW 442.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O5/c1-32-16-9-6-14(7-10-16)20-13-21-17-4-2-3-5-22(17)33-24(27(21)26-20)18-12-15(28(30)31)8-11-19(18)25-23(24)29/h2-12,21H,13H2,1H3,(H,25,29)InChIKey
SAVQKEGHSNRNBW-UHFFFAOYSA-NSynonyms
2(4methoxyphenyl)5nitro110bdihydrospiro(indole35pyrazolo(15c)(13)benzoxazin)2(1H)one
2(4methoxyphenyl)5nitrospiro(110bdihydropyrazolo(15c)(13)benzoxazine531Hindole)2one
COC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC35C6=C(C=CC(=C6)(N+)(=O)(O))NC5=O
COc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12C(=O)Nc2c1cc(cc2)(N+)(=O)(O)
InChI=1SC24H18N4O5c132169614(71016)20132117423522(17)3324(27(21)2620)181215(28(30)31)81119(18)2523(24)29h21221H13H21H3(H2529)
MFCD04587614
ZINC000095481733
ZINC000226894961
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