Vitas-M small molecule compound
methyl {(5Z)-3-(4-methoxyphenyl)-4-oxo-2-thioxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]imidazolidin-1-yl}acetate
Catalog ID
STL417265
SMILES COC(=O)CN1/C(=C\c2cc(n(c2C)C)C)/C(=O)N(C1=S)c1ccc(cc1)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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-13-10-15(14(2)22(13)3)11-18-20(26)24(16-6-8-17(27-4)9-7-16)21(29)23(18)12-19(25)28-5/h6-11H,12H2,1-5H3/b18-11-InChIKey
RBECHYYHVNTZDF-WQRHYEAKSA-NSynonyms
CC1=CC(=C(N1C)C)C=C2C(=O)N(C(=S)N2CC(=O)OC)C3=CC=C(C=C3)OC
COC(=O)CN1C(=Cc2cc(n(c2C)C)C)C(=O)N(C1=S)c1ccc(cc1)OC
InChI=1SC21H23N3O4Sc1131015(14(2)22(13)3)111820(26)24(166817(274)9716)21(29)23(18)1219(25)285h611H12H215H3b1811
methyl((5Z)3(4methoxyphenyl)4oxo2thioxo5((125trimethyl1Hpyrrol3yl)methylidene)imidazolidin1yl)acetate
METHYL2((5Z)3(4METHOXYPHENYL)4OXO2SULFANYLIDENE5((125TRIMETHYLPYRROL3YL)METHYLIDENE)IMIDAZOLIDIN1YL)ACETATE
MFCD03720281
ZINC000016264759
ZINC16264759
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