Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK621640
SMILES COc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/C1=O)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 C24H20N4O5S MW 476.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O5S/c1-14-11-16(15(2)26(14)18-5-4-6-19(13-18)28(31)32)12-21-22(29)25-24(34)27(23(21)30)17-7-9-20(33-3)10-8-17/h4-13H,1-3H3,(H,25,29,34)/b21-12-InChIKey
HAEGUWWSAALBBL-MTJSOVHGSA-NSynonyms
(5Z)5((25dimethyl1(3nitrophenyl)1Hpyrrol3yl)methylidene)1(4methoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5Z)5((25DIMETHYL1(3NITROPHENYL)PYRROL3YL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
COc1ccc(cc1)N1C(=NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2)(N+)(=O)(O))C)C1=O)S
InChI=1SC24H20N4O5Sc1141116(15(2)26(14)1854619(1318)28(31)32)122122(29)2524(34)27(23(21)30)177920(333)10817h413H13H3(H252934)b2112
MFCD09789189
ZINC000013549325
ZINC13549325
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