Vitas-M small molecule compound
1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl (2E)-2-[4-(dimethylamino)benzylidene]hydrazinecarbimidothioate
Catalog ID
STK668852
SMILES CCCCOc1ccc(cc1)N1C(=O)CC(C1=O)SC(=N)N/N=C/c1ccc(cc1)N(C)C
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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 C24H29N5O3S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O3S/c1-4-5-14-32-20-12-10-19(11-13-20)29-22(30)15-21(23(29)31)33-24(25)27-26-16-17-6-8-18(9-7-17)28(2)3/h6-13,16,21H,4-5,14-15H2,1-3H3,(H2,25,27)/b26-16+InChIKey
DMEURRWKWQIFHP-WGOQTCKBSA-NSynonyms
(1(4butoxyphenyl)25dioxopyrrolidin3yl)N((E)(4(dimethylamino)phenyl)methylideneamino)carbamimidothioate
1(4butoxyphenyl)25dioxopyrrolidin3yl(2E)2(4(dimethylamino)benzylidene)hydrazinecarbimidothioate
CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NN=CC3=CC=C(C=C3)N(C)C)N
CCCCOc1ccc(cc1)N1C(=O)CC(C1=O)SC(=N)NN=Cc1ccc(cc1)N(C)C
InChI=1SC24H29N5O3Sc145143220121019(111320)2922(30)1521(23(29)31)3324(25)272616176818(9717)28(2)3h6131621H451415H213H3(H22527)b2616+
MFCD00624537
ZINC000017780859
ZINC000100026809
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