Vitas-M small molecule compound
methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL175775
SMILES COC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccccc1Cl)CC)C(=O)CC(C2)(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 C27H30ClNO4S MW 500.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClNO4S/c1-6-21-16(14-33-20-10-8-7-9-17(20)28)11-22(34-21)25-23(26(31)32-5)15(2)29-18-12-27(3,4)13-19(30)24(18)25/h7-11,25,29H,6,12-14H2,1-5H3InChIKey
GIXMLWUWXJFJOW-UHFFFAOYSA-NSynonyms
438223-18-8438223188
CCC1=C(C=C(S1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C)COC4=CC=CC=C4Cl
InChI=1SC27H30ClNO4Sc162116(1433201087917(20)28)1122(3421)2523(26(31)325)15(2)29181227(34)1319(30)24(18)25h7112529H61214H215H3
methyl4(4((2chlorophenoxy)methyl)5ethylthiophen2yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4((2chlorophenoxy)methyl)5ethylthiophen2yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD03074674
ZINC000008441790
ZINC000008441792
Check stock
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