Vitas-M small molecule compound
methyl 2-[(3E)-3-[hydroxy(4-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL046539
SMILES COc1ccc(cc1)/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(13-4-8-15(9-5-13)27(32)33)17(20(29)22(26)30)19(28)14-6-10-16(34-2)11-7-14/h4-11,18,28H,1-3H3/b19-17+InChIKey
OMGGICJFXPFVJP-HTXNQAPBSA-NSynonyms
384351-38-6384351386
CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)OC)O)C(=O)C2=O)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OC
COc1ccc(cc1)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(134815(9513)27(32)33)17(20(29)22(26)30)19(28)1461016(342)11714h4111828H13H3b1917+
methyl2((3E)3(hydroxy(4methoxyphenyl)methylidene)2(4nitrophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(4NITROPHENYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD03802028
ZINC000102880265
ZINC000102880268
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