Vitas-M small molecule compound
methyl {(5Z)-3-(4-ethoxyphenyl)-4-oxo-2-thioxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]imidazolidin-1-yl}acetate
Catalog ID
STL416486
SMILES CCOc1ccc(cc1)N1C(=O)/C(=C/c2cc(n(c2C)C)C)/N(C1=S)CC(=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 C22H25N3O4S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4S/c1-6-29-18-9-7-17(8-10-18)25-21(27)19(24(22(25)30)13-20(26)28-5)12-16-11-14(2)23(4)15(16)3/h7-12H,6,13H2,1-5H3/b19-12-InChIKey
IQNFNTNKUCCXPH-UNOMPAQXSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C)C)N(C2=S)CC(=O)OC
CCOc1ccc(cc1)N1C(=O)C(=Cc2cc(n(c2C)C)C)N(C1=S)CC(=O)OC
InChI=1SC22H25N3O4Sc1629189717(81018)2521(27)19(24(22(25)30)1320(26)285)12161114(2)23(4)15(16)3h712H613H215H3b1912
methyl((5Z)3(4ethoxyphenyl)4oxo2thioxo5((125trimethyl1Hpyrrol3yl)methylidene)imidazolidin1yl)acetate
METHYL2((5Z)3(4ETHOXYPHENYL)4OXO2SULFANYLIDENE5((125TRIMETHYLPYRROL3YL)METHYLIDENE)IMIDAZOLIDIN1YL)ACETATE
MFCD04086772
ZINC000009296100
ZINC09296100
ZINC9296100
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