Vitas-M small molecule compound
ethyl (5Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-[3-methyl-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL380532
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(c(c2)C)N2CCCC2)/C1=O)NC(=O)c1ccc(cc1)C(C)(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 C30H34N2O4S MW 518.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O4S/c1-6-36-29(35)25-26(33)24(18-20-9-14-23(19(2)17-20)32-15-7-8-16-32)37-28(25)31-27(34)21-10-12-22(13-11-21)30(3,4)5/h9-14,17-18H,6-8,15-16H2,1-5H3,(H,31,34)/b24-18-InChIKey
FURPSTWHHXIWBL-MOHJPFBDSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)N3CCCC3)C)C1=O)NC(=O)C4=CC=C(C=C4)C(C)(C)C
CCOC(=O)C1=C(SC(=Cc2ccc(c(c2)C)N2CCCC2)C1=O)NC(=O)c1ccc(cc1)C(C)(C)C
ethyl(5Z)2(((4tertbutylphenyl)carbonyl)amino)5(3methyl4(pyrrolidin1yl)benzylidene)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)2((4TERTBUTYLBENZOYL)AMINO)5((3METHYL4PYRROLIDIN1YLPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL2((4TERTBUTYLBENZOYL)AMINO)5(3METHYL4(1PYRROLIDINYL)BENZYLIDENE)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC30H34N2O4Sc163629(35)2526(33)24(182091423(19(2)1720)3215781632)3728(25)3127(34)21101222(131121)30(34)5h9141718H681516H215H3(H3134)b2418
MFCD03785035
ZINC000008400730
ZINC08400730
ZINC8400730
Check stock
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Check stock on Vitas-MAvailable files
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