Vitas-M small molecule compound
diethyl 5-{[(E)-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-ylmethylidene]amino}-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK670457
SMILES CCOC(=O)c1c(/N=C/c2ccc3c(c2)OCCOCCOCCO3)sc(c1C)C(=O)OCC
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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 C24H29NO8S MW 491.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO8S/c1-4-30-23(26)20-16(3)21(24(27)31-5-2)34-22(20)25-15-17-6-7-18-19(14-17)33-13-11-29-9-8-28-10-12-32-18/h6-7,14-15H,4-5,8-13H2,1-3H3/b25-15+InChIKey
BONUNZPZFGRWAF-MFKUBSTISA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N=CC2=CC3=C(C=C2)OCCOCCOCCO3
CCOC(=O)c1c(N=Cc2ccc3c(c2)OCCOCCOCCO3)sc(c1C)C(=O)OCC
diethyl3methyl5((E)25811tetraoxabicyclo(1040)hexadeca1(12)1315trien14ylmethylideneamino)thiophene24dicarboxylate
diethyl5(((E)235689hexahydro14710benzotetraoxacyclododecin12ylmethylidene)amino)3methylthiophene24dicarboxylate
InChI=1SC24H29NO8Sc143023(26)2016(3)21(24(27)3152)3422(20)251517671819(1417)33131129982810123218h671415H45813H213H3b2515+
MFCD00745465
ZINC000001054101
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