Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK516404
SMILES COc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc2c(c1)OCCO2
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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 C27H19N3O8S MW 545.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O8S/c1-36-17-6-7-18-21(13-17)39-27(28-18)29-23(14-3-2-4-16(11-14)30(34)35)22(25(32)26(29)33)24(31)15-5-8-19-20(12-15)38-10-9-37-19/h2-8,11-13,23,32H,9-10H2,1H3InChIKey
NAOXNQZKCFCIKX-UHFFFAOYSA-NSynonyms
4(23dihydro14benzodioxin6ylcarbonyl)3hydroxy1(6methoxy13benzothiazol2yl)5(3nitrophenyl)15dihydro2Hpyrrol2one
4(23dihydrobenzo(b)(14)dioxine6carbonyl)3hydroxy1(6methoxybenzo(d)thiazol2yl)5(3nitrophenyl)1Hpyrrol2(5H)one
COc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)(N+)(=O)(O))C(=C(C1=O)O)C(=O)c1ccc2c(c1)OCCO2
MFCD04008201
ZINC000097952669
ZINC000097952670
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