Vitas-M small molecule compound
2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK295691
SMILES O=C1N(c2ccc(cc2)Sc2ccc(cc2)[N+](=O)[O-])C(=O)C2C1C1C=CC2C1
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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 C21H16N2O4S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O4S/c24-20-18-12-1-2-13(11-12)19(18)21(25)22(20)14-3-7-16(8-4-14)28-17-9-5-15(6-10-17)23(26)27/h1-10,12-13,18-19H,11H2InChIKey
FWYXNQQJDPKKLD-UHFFFAOYSA-NSynonyms
2(4((4nitrophenyl)sulfanyl)phenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC21H16N2O4Sc242018121213(1112)19(18)21(25)22(20)143716(8414)28179515(61017)23(26)27h11012131819H11H2
MFCD00344145
O=C1N(c2ccc(cc2)Sc2ccc(cc2)(N+)(=O)(O))C(=O)C2C1C1C=CC2C1
ZINC000100508895
ZINC000239046687
Check stock
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Check stock on Vitas-MAvailable files
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