Vitas-M small molecule compound
5-{[1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188136
SMILES COc1ccc(c(c1)[N+](=O)[O-])n1c(C)cc(c1C)C=C1C(=O)N(C)C(=S)N(C1=O)C
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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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-11-8-13(9-15-18(25)21(3)20(30)22(4)19(15)26)12(2)23(11)16-7-6-14(29-5)10-17(16)24(27)28/h6-10H,1-5H3InChIKey
NBIUBBVSDCVCLE-UHFFFAOYSA-NSynonyms
5((1(4METHOXY2NITROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1(4METHOXY2NITROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=C(C=C(C=C2)OC)(N+)(=O)(O))C)C=C3C(=O)N(C(=S)N(C3=O)C)C
COc1ccc(c(c1)(N+)(=O)(O))n1c(C)cc(c1C)C=C1C(=O)N(C)C(=S)N(C1=O)C
InChI=1SC20H20N4O5Sc111813(91518(25)21(3)20(30)22(4)19(15)26)12(2)23(11)167614(295)1017(16)24(27)28h610H15H3
MFCD03240346
ZINC000002813051
ZINC02813051
ZINC2813051
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