Vitas-M small molecule compound
methyl (4Z)-1-(3-chloro-4-methoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)benzylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160469
SMILES CSc1ccc(cc1)/C=C/1\C(=O)N(C(=C1C(=O)OC)C)c1ccc(c(c1)Cl)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 C22H20ClNO4S MW 429.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO4S/c1-13-20(22(26)28-3)17(11-14-5-8-16(29-4)9-6-14)21(25)24(13)15-7-10-19(27-2)18(23)12-15/h5-12H,1-4H3/b17-11-InChIKey
FDDLKAZMOAZHHN-BOPFTXTBSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)SC)C(=O)N1C3=CC(=C(C=C3)OC)Cl)C(=O)OC
CSc1ccc(cc1)C=C1C(=O)N(C(=C1C(=O)OC)C)c1ccc(c(c1)Cl)OC
InChI=1SC22H20ClNO4Sc11320(22(26)283)17(11145816(294)9614)21(25)24(13)1571019(272)18(23)1215h512H14H3b1711
METHYL(4Z)1(3CHLORO4METHOXYPHENYL)2METHYL4((4METHYLSULFANYLPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1(3CHLORO4METHOXYPHENYL)2METHYL4(4(METHYLSULFANYL)BENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03272241
ZINC000000638432
ZINC00638432
ZINC638432
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