Vitas-M small molecule compound
N'-[(E)-(6-{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
Catalog ID
STL433968
SMILES COc1c(/C=N/NC(=O)c2sc3c(c2n2cccc2)c(C)cc(n3)C)c(CC2ON=C(C2)c2ccc(cc2)Cl)c(c2c1OCO2)OC
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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 C34H30ClN5O6S MW 672.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30ClN5O6S/c1-18-13-19(2)37-34-26(18)27(40-11-5-6-12-40)32(47-34)33(41)38-36-16-24-23(28(42-3)30-31(29(24)43-4)45-17-44-30)14-22-15-25(39-46-22)20-7-9-21(35)10-8-20/h5-13,16,22H,14-15,17H2,1-4H3,(H,38,41)/b36-16+InChIKey
SHNPHGVHBOFCHH-ODQASSKESA-NSynonyms
CC1=CC(=NC2=C1C(=C(S2)C(=O)NN=CC3=C(C(=C4C(=C3OC)OCO4)OC)CC5CC(=NO5)C6=CC=C(C=C6)Cl)N7C=CC=C7)C
COc1c(C=NNC(=O)c2sc3c(c2n2cccc2)c(C)cc(n3)C)c(CC2ON=C(C2)c2ccc(cc2)Cl)c(c2c1OCO2)OC
InChI=1SC34H30ClN5O6Sc1181319(2)373426(18)27(4011561240)32(4734)33(41)3836162423(28(423)3031(29(24)434)45174430)14221525(394622)207921(35)10820h5131622H141517H214H3(H3841)b3616+
MFCD26098211
N((E)(6((3(4chlorophenyl)45dihydro12oxazol5yl)methyl)47dimethoxy13benzodioxol5yl)methylidene)46dimethyl3(1Hpyrrol1yl)thieno(23b)pyridine2carbohydrazide
N((E)(6((3(4chlorophenyl)45dihydro12oxazol5yl)methyl)47dimethoxy13benzodioxol5yl)methylideneamino)46dimethyl3pyrrol1ylthieno(23b)pyridine2carboxamide
ZINC000150417261
ZINC000150417272
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