Vitas-M small molecule compound
N-(3-chlorophenyl)-2-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Catalog ID
STK385174
SMILES COc1c(OC)ccc(c1OC)/C=N/c1sc2c(c1C(=O)Nc1cccc(c1)Cl)CCCCC2
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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 C26H27ClN2O4S MW 499.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN2O4S/c1-31-20-13-12-16(23(32-2)24(20)33-3)15-28-26-22(19-10-5-4-6-11-21(19)34-26)25(30)29-18-9-7-8-17(27)14-18/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,29,30)/b28-15+InChIKey
KVNGNWCOBXDHHO-RWPZCVJISA-NSynonyms
COC1=C(C(=C(C=C1)C=NC2=C(C3=C(S2)CCCCC3)C(=O)NC4=CC(=CC=C4)Cl)OC)OC
COc1c(OC)ccc(c1OC)C=Nc1sc2c(c1C(=O)Nc1cccc(c1)Cl)CCCCC2
InChI=1SC26H27ClN2O4Sc13120131216(23(322)24(20)333)15282622(19105461121(19)3426)25(30)291897817(27)1418h791215H461011H213H3(H2930)b2815+
MFCD03274052
N(3chlorophenyl)2(((E)(234trimethoxyphenyl)methylidene)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
N(3chlorophenyl)2((E)(234trimethoxyphenyl)methylideneamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
ZINC000015946513
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