Vitas-M small molecule compound
methyl 2-{(3E)-3-[hydroxy(3-methoxyphenyl)methylidene]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK630316
SMILES COc1cccc(c1)/C(=C\1/C(c2ccc(cc2)OC(C)C)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 C27H26N2O7S MW 522.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O7S/c1-14(2)36-18-11-9-16(10-12-18)21-20(22(30)17-7-6-8-19(13-17)34-4)23(31)25(32)29(21)27-28-15(3)24(37-27)26(33)35-5/h6-14,21,30H,1-5H3/b22-20+InChIKey
RKUKPOULQGPOTR-LSDHQDQOSA-NSynonyms
618416-95-8618416958
CC1=C(SC(=N1)N2C(C(=C(C3=CC(=CC=C3)OC)O)C(=O)C2=O)C4=CC=C(C=C4)OC(C)C)C(=O)OC
COc1cccc(c1)C(=C1C(c2ccc(cc2)OC(C)C)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)O
InChI=1SC27H26N2O7Sc114(2)361811916(101218)2120(22(30)1776819(1317)344)23(31)25(32)29(21)272815(3)24(3727)26(33)355h6142130H15H3b2220+
methyl2((3E)3(hydroxy(3methoxyphenyl)methylidene)45dioxo2(4(propan2yloxy)phenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)23DIOXO5(4PROPAN2YLOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
METHYL2(3HYDROXY4((3METHOXYPHENYL)CARBONYL)5(4(METHYLETHOXY)PHENYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD09798115
ZINC000102734290
ZINC000102734292
Check stock
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Check stock on Vitas-MAvailable files
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