Vitas-M small molecule compound
dimethyl 2-[3-(3-chlorobenzyl)-4-(ethoxycarbonyl)-5-methyl-1H-pyrrol-2-yl]-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate
Catalog ID
STL023296
SMILES CCOC(=O)c1c(C)[nH]c(c1Cc1cccc(c1)Cl)C1C(=C(C)CC(=C1C(=O)OC)C)C(=O)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 C27H30ClNO6 MW 499.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClNO6/c1-7-35-27(32)22-16(4)29-24(19(22)13-17-9-8-10-18(28)12-17)23-20(25(30)33-5)14(2)11-15(3)21(23)26(31)34-6/h8-10,12,23,29H,7,11,13H2,1-6H3InChIKey
LETCSYZDMIZKKC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C1CC2=CC(=CC=C2)Cl)C3C(=C(CC(=C3C(=O)OC)C)C)C(=O)OC)C
CCOC(=O)c1c(C)(nH)c(c1Cc1cccc(c1)Cl)C1C(=C(C)CC(=C1C(=O)OC)C)C(=O)OC
dimethyl2(3((3chlorophenyl)methyl)4ethoxycarbonyl5methyl1Hpyrrol2yl)46dimethylcyclohexa36diene13dicarboxylate
dimethyl2(3(3chlorobenzyl)4(ethoxycarbonyl)5methyl1Hpyrrol2yl)46dimethylcyclohexa36diene13dicarboxylate
ETHYL5(26BIS(METHOXYCARBONYL)35DIMETHYLCYCLOHEXA25DIENYL)4((3CHLOROPHENYL)METHYL)2METHYLPYRROLE3CARBOXYLATE
InChI=1SC27H30ClNO6c173527(32)2216(4)2924(19(22)1317981018(28)1217)2320(25(30)335)14(2)1115(3)21(23)26(31)346h810122329H71113H216H3
MFCD09760679
ZINC000011690112
ZINC11690112
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