Vitas-M small molecule compound
methyl 2-[(3E)-3-[hydroxy(3-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK613895
SMILES COc1cccc(c1)/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)/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 C24H19N3O8S MW 509.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O8S/c1-12-21(23(31)35-3)36-24(25-12)26-18(13-7-9-15(10-8-13)27(32)33)17(20(29)22(26)30)19(28)14-5-4-6-16(11-14)34-2/h4-11,18,28H,1-3H3/b19-17+InChIKey
IZRFCHSZJQMKHF-HTXNQAPBSA-NSynonyms
608510-06-1608510061
CC1=C(SC(=N1)N2C(C(=C(C3=CC(=CC=C3)OC)O)C(=O)C2=O)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OC
COc1cccc(c1)C(=C1C(c2ccc(cc2)(N+)(=O)(O))N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)O
InChI=1SC24H19N3O8Sc11221(23(31)353)3624(2512)2618(137915(10813)27(32)33)17(20(29)22(26)30)19(28)1454616(1114)342h4111828H13H3b1917+
methyl2((3E)3(hydroxy(3methoxyphenyl)methylidene)2(4nitrophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(3HYDROXY4((3METHOXYPHENYL)CARBONYL)5(4NITROPHENYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD08731192
ZINC000102712546
ZINC000102712550
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