Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK070263
SMILES CN1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)[N+](=O)[O-])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 C18H16N4O4S MW 384.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4S/c1-10-8-12(9-15-16(23)19-18(27)20(3)17(15)24)11(2)21(10)13-4-6-14(7-5-13)22(25)26/h4-9H,1-3H3,(H,19,23,27)/b15-9-InChIKey
VESXSOROGKBYTH-DHDCSXOGSA-NSynonyms
(5Z)5((25DIMETHYL1(4NITROPHENYL)1HPYRROL3YL)METHYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((25DIMETHYL1(4NITROPHENYL)PYRROL3YL)METHYLIDENE)1METHYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=CC=C(C=C2)(N+)(=O)(O))C)C=C3C(=O)NC(=S)N(C3=O)C
CN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)(N+)(=O)(O))C)C1=O
InChI=1SC18H16N4O4Sc110812(91516(23)1918(27)20(3)17(15)24)11(2)21(10)134614(7513)22(25)26h49H13H3(H192327)b159
MFCD08051938
STK070263
ZINC000013898526
ZINC13898526
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