Vitas-M small molecule compound
(5E)-5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188253
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(c(c2)[N+](=O)[O-])C)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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-5-8-23-20(27)17(19(26)22-21(23)30)10-15-9-13(3)24(14(15)4)16-7-6-12(2)18(11-16)25(28)29/h5-7,9-11H,1,8H2,2-4H3,(H,22,26,30)/b17-10+InChIKey
HDXRNUWTWVOVGA-LICLKQGHSA-NSynonyms
428833-60-7(5E)5((25DIMETHYL1(4METHYL3NITROPHENYL)1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((25DIMETHYL1(4METHYL3NITROPHENYL)PYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
428833607
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)(N+)(=O)(O))C)C)C1=O
CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)CC=C)C)(N+)(=O)(O)
InChI=1SC21H20N4O4Sc1582320(27)17(19(26)2221(23)30)1015913(3)24(14(15)4)167612(2)18(1116)25(28)29h57911H18H224H3(H222630)b1710+
MFCD02604669
ZINC000002726855
ZINC2726855
Check stock
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