Vitas-M small molecule compound
N'-[(E)-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)methylidene]-4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
Catalog ID
STL433791
SMILES CCCc1c(/C=N/NC(=O)c2sc3c(c2n2cccc2)c(COC)cc(n3)C)c(OC)c2c(c1OC)OCO2
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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 C28H30N4O6S MW 550.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O6S/c1-6-9-18-19(23(36-5)25-24(22(18)35-4)37-15-38-25)13-29-31-27(33)26-21(32-10-7-8-11-32)20-17(14-34-3)12-16(2)30-28(20)39-26/h7-8,10-13H,6,9,14-15H2,1-5H3,(H,31,33)/b29-13+InChIKey
BJWKQKWKROIQJD-VFLNYLIXSA-NSynonyms
CCCC1=C(C(=C2C(=C1OC)OCO2)OC)C=NNC(=O)C3=C(C4=C(S3)N=C(C=C4COC)C)N5C=CC=C5
CCCc1c(C=NNC(=O)c2sc3c(c2n2cccc2)c(COC)cc(n3)C)c(OC)c2c(c1OC)OCO2
InChI=1SC28H30N4O6Sc1691819(23(365)2524(22(18)354)37153825)13293127(33)2621(3210781132)2017(14343)1216(2)3028(20)3926h781013H691415H215H3(H3133)b2913+
MFCD26098007
N((E)(47dimethoxy6propyl13benzodioxol5yl)methylidene)4(methoxymethyl)6methyl3(1Hpyrrol1yl)thieno(23b)pyridine2carbohydrazide
N((E)(47dimethoxy6propyl13benzodioxol5yl)methylideneamino)4(methoxymethyl)6methyl3pyrrol1ylthieno(23b)pyridine2carboxamide
ZINC000100251890
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