Vitas-M small molecule compound
diethyl 8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Catalog ID
STL040671
SMILES CCOC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)OCC)c1ccc(cc1)[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 C23H22N4O6S2 MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O6S2/c1-4-32-21(28)19-15(3)25(16-9-7-6-8-10-16)23(34-19)26(24-20(35-23)22(29)33-5-2)17-11-13-18(14-12-17)27(30)31/h6-14H,4-5H2,1-3H3InChIKey
PXRJFLAHUYUURM-UHFFFAOYSA-NSynonyms
670263-92-0670263920
CCOC(=O)C1=C(N(C2(S1)N(N=C(S2)C(=O)OCC)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4)C
CCOC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)OCC)c1ccc(cc1)(N+)(=O)(O)
DIETHYL2METHYL6(4NITROPHENYL)1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE38DICARBOXYLATE
diethyl8methyl1(4nitrophenyl)9phenyl46dithia129triazaspiro(44)nona27diene37dicarboxylate
diethyl8methyl4(4nitrophenyl)9phenyl16dithia349triazaspiro(44)nona27diene27dicarboxylate
InChI=1SC23H22N4O6S2c143221(28)1915(3)25(1697681016)23(3419)26(2420(3523)22(29)3352)17111318(141217)27(30)31h614H45H213H3
MFCD03670671
ZINC000009009397
ZINC000009009398
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