Vitas-M small molecule compound
(5Z)-1-(2,4-dimethoxyphenyl)-5-[(2,5-dimethyl-1-{4-[(5-nitropyridin-2-yl)oxy]phenyl}-1H-pyrrol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK198067
SMILES COc1ccc(c(c1)OC)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Oc2ccc(cn2)[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 C30H25N5O7S MW 599.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O7S/c1-17-13-19(14-24-28(36)32-30(43)34(29(24)37)25-11-10-23(40-3)15-26(25)41-4)18(2)33(17)20-5-8-22(9-6-20)42-27-12-7-21(16-31-27)35(38)39/h5-16H,1-4H3,(H,32,36,43)/b24-14-InChIKey
DJLMYBQTTADDCA-OYKKKHCWSA-NSynonyms
(5Z)1(24DIMETHOXYPHENYL)5((25DIMETHYL1(4((5NITROPYRIDIN2YL)OXY)PHENYL)1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(24DIMETHOXYPHENYL)5((25DIMETHYL1(4(5NITROPYRIDIN2YL)OXYPHENYL)PYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=CC=C(C=C2)OC3=NC=C(C=C3)(N+)(=O)(O))C)C=C4C(=O)NC(=S)N(C4=O)C5=C(C=C(C=C5)OC)OC
COc1ccc(c(c1)OC)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)Oc2ccc(cn2)(N+)(=O)(O))C)C1=O
InChI=1SC30H25N5O7Sc1171319(142428(36)3230(43)34(29(24)37)25111023(403)1526(25)414)18(2)33(17)205822(9620)422712721(163127)35(38)39h516H14H3(H323643)b2414
MFCD04087288
ZINC000002116572
ZINC2116572
Check stock
See real-time availability and sample size for STK198067 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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