Vitas-M small molecule compound
prop-2-en-1-yl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(3-ethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL049383
SMILES C=CCOC(=O)c1sc(nc1C)N1C(c2cccc(c2)OCC)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=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 C29H26N2O8S MW 562.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O8S/c1-4-11-39-28(35)26-16(3)30-29(40-26)31-23(17-7-6-8-19(14-17)36-5-2)22(25(33)27(31)34)24(32)18-9-10-20-21(15-18)38-13-12-37-20/h4,6-10,14-15,23,32H,1,5,11-13H2,2-3H3/b24-22+InChIKey
HOSKKYPIHNQJKS-ZNTNEXAZSA-NSynonyms
C=CCOC(=O)c1sc(nc1C)N1C(c2cccc(c2)OCC)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC=C)C
InChI=1SC29H26N2O8Sc14113928(35)2616(3)3029(4026)3123(1776819(1417)3652)22(25(33)27(31)34)24(32)189102021(1518)3813123720h461014152332H151113H223H3b2422+
MFCD05734832
prop2en1yl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)2(3ethoxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((3E)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)2(3ETHOXYPHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000101278343
ZINC000101278346
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Check stock on Vitas-MAvailable files
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