Vitas-M small molecule compound
(5Z)-5-[(1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187193
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1cc(n(c1C)C1CCCC1)C)c1ccccc1
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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 C22H23N3O2S MW 393.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O2S/c1-14-12-16(15(2)24(14)17-10-6-7-11-17)13-19-20(26)23-22(28)25(21(19)27)18-8-4-3-5-9-18/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3,(H,23,26,28)/b19-13-InChIKey
QNFMFAGSZRVRSL-UYRXBGFRSA-NSynonyms
(5Z)5((1CYCLOPENTYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)1PHENYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1CYCLOPENTYL25DIMETHYLPYRROL3YL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2CCCC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4
InChI=1SC22H23N3O2Sc1141216(15(2)24(14)1710671117)131920(26)2322(28)25(21(19)27)188435918h3589121317H671011H212H3(H232628)b1913
MFCD03167285
O=C1NC(=S)N(C(=O)C1=Cc1cc(n(c1C)C1CCCC1)C)c1ccccc1
ZINC000004723739
ZINC04723739
ZINC4723739
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