Vitas-M small molecule compound
(5Z)-5-[(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK111921
SMILES CN1C(=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 C17H21N3O2S MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O2S/c1-10-8-12(11(2)20(10)13-6-4-5-7-13)9-14-15(21)18-17(23)19(3)16(14)22/h8-9,13H,4-7H2,1-3H3,(H,18,21,23)/b14-9-InChIKey
CGCKDIGHPRSKLW-ZROIWOOFSA-NSynonyms
(5Z)5((1CYCLOPENTYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1CYCLOPENTYL25DIMETHYLPYRROL3YL)METHYLIDENE)1METHYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2CCCC2)C)C=C3C(=O)NC(=S)N(C3=O)C
CN1C(=S)NC(=O)C(=Cc2cc(n(c2C)C2CCCC2)C)C1=O
InChI=1SC17H21N3O2Sc110812(11(2)20(10)13645713)91415(21)1817(23)19(3)16(14)22h8913H47H213H3(H182123)b149
MFCD04127113
ZINC000012468967
ZINC12468967
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