Vitas-M small molecule compound
(5Z)-1-cyclopropyl-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL055346
SMILES Cc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)C1CC1)S
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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 C21H21N3O2S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S/c1-12-4-6-16(7-5-12)23-13(2)10-15(14(23)3)11-18-19(25)22-21(27)24(20(18)26)17-8-9-17/h4-7,10-11,17H,8-9H2,1-3H3,(H,22,25,27)/b18-11-InChIKey
JIYISYNRMFTZKK-WQRHYEAKSA-NSynonyms
716340-49-7(5Z)1cyclopropyl5((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1CYCLOPROPYL5((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
716340497
CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)C4CC4)C
Cc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=C(N(C1=O)C1CC1)S
InChI=1SC21H21N3O2Sc1124616(7512)2313(2)1015(14(23)3)111819(25)2221(27)24(20(18)26)178917h47101117H89H213H3(H222527)b1811
MFCD05738654
ZINC000001279688
ZINC01279688
ZINC1279688
ZINC13751620
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