Vitas-M small molecule compound
5-{[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190185
SMILES S=C1NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2C)[N+](=O)[O-])C)C(=O)N1
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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 C18H16N4O4S MW 384.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4S/c1-9-6-13(22(25)26)4-5-15(9)21-10(2)7-12(11(21)3)8-14-16(23)19-18(27)20-17(14)24/h4-8H,1-3H3,(H2,19,20,23,24,27)InChIKey
DFLUZCVUWZWPSH-UHFFFAOYSA-NSynonyms
5((25DIMETHYL1(2METHYL4NITROPHENYL)1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((25DIMETHYL1(2METHYL4NITROPHENYL)PYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=C(C=C(C=C2)(N+)(=O)(O))C)C)C=C3C(=O)NC(=S)NC3=O
InChI=1SC18H16N4O4Sc19613(22(25)26)4515(9)2110(2)712(11(21)3)81416(23)1918(27)2017(14)24h48H13H3(H21920232427)
MFCD03710956
S=C1NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2C)(N+)(=O)(O))C)C(=O)N1
ZINC000001160743
ZINC1160743
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