Vitas-M small molecule compound
(5Z)-1-(3-chlorophenyl)-5-[(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187195
SMILES Clc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)C2CCCC2)C)/C1=O
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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 C22H22ClN3O2S MW 427.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O2S/c1-13-10-15(14(2)25(13)17-7-3-4-8-17)11-19-20(27)24-22(29)26(21(19)28)18-9-5-6-16(23)12-18/h5-6,9-12,17H,3-4,7-8H2,1-2H3,(H,24,27,29)/b19-11-InChIKey
SKSLANBCEQHXQR-ODLFYWEKSA-NSynonyms
(5Z)1(3CHLOROPHENYL)5((1CYCLOPENTYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(3chlorophenyl)5((1cyclopentyl25dimethylpyrrol3yl)methylidene)2sulfanylidene13diazinane46dione
CC1=CC(=C(N1C2CCCC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl
Clc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)C2CCCC2)C)C1=O
InChI=1SC22H22ClN3O2Sc1131015(14(2)25(13)17734817)111920(27)2422(29)26(21(19)28)1895616(23)1218h5691217H3478H212H3(H242729)b1911
MFCD03167298
ZINC000009311497
ZINC09311497
ZINC9311497
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