Vitas-M small molecule compound
5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK079137
SMILES COc1cc2c(cc1OC)nc(oc2=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Sc1ccc(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 C30H19N3O8S MW 581.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H19N3O8S/c1-39-25-14-23-24(15-26(25)40-2)31-27(41-30(23)36)16-3-12-21-22(13-16)29(35)32(28(21)34)17-4-8-19(9-5-17)42-20-10-6-18(7-11-20)33(37)38/h3-15H,1-2H3InChIKey
CXOYRIYHBOBHGP-UHFFFAOYSA-NSynonyms
5(67DIMETHOXY4OXO31BENZOXAZIN2YL)2(4(4NITROPHENYL)SULFANYLPHENYL)ISOINDOLE13DIONE
5(67DIMETHOXY4OXO4H31BENZOXAZIN2YL)2(4((4NITROPHENYL)SULFANYL)PHENYL)1HISOINDOLE13(2H)DIONE
COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)SC6=CC=C(C=C6)(N+)(=O)(O))OC
COc1cc2c(cc1OC)nc(oc2=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Sc1ccc(cc1)(N+)(=O)(O)
InChI=1SC30H19N3O8Sc13925142324(1526(25)402)3127(4130(23)36)163122122(1316)29(35)32(28(21)34)174819(9517)422010618(71120)33(37)38h315H12H3
MFCD00826806
STK079137
ZINC000098002556
ZINC98002556
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