Vitas-M small molecule compound
prop-2-en-1-yl 2-[(3E)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL052830
SMILES C=CCOC(=O)c1sc(nc1C)N1C(c2cc(OC)c(c(c2)OC)OC)/C(=C(/c2ccc(c(c2)C)OC)\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 C30H30N2O9S MW 594.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O9S/c1-8-11-41-29(36)27-16(3)31-30(42-27)32-23(18-13-20(38-5)26(40-7)21(14-18)39-6)22(25(34)28(32)35)24(33)17-9-10-19(37-4)15(2)12-17/h8-10,12-14,23,33H,1,11H2,2-7H3/b24-22+InChIKey
WKOPLHUURVLGQJ-ZNTNEXAZSA-NSynonyms
499208-75-2499208752
C=CCOC(=O)c1sc(nc1C)N1C(c2cc(OC)c(c(c2)OC)OC)C(=C(c2ccc(c(c2)C)OC)O)C(=O)C1=O
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CC(=C(C(=C4)OC)OC)OC)O)OC
InChI=1SC30H30N2O9Sc18114129(36)2716(3)3130(4227)3223(181320(385)26(407)21(1418)396)22(25(34)28(32)35)24(33)1791019(374)15(2)1217h81012142333H111H227H3b2422+
MFCD05731821
prop2en1yl2((3E)3(hydroxy(4methoxy3methylphenyl)methylidene)45dioxo2(345trimethoxyphenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)23DIOXO5(345TRIMETHOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000101277218
ZINC000101277219
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.