Vitas-M small molecule compound
5-({2,5-dimethyl-1-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL375903
SMILES CN1C(=S)N(C)C(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)[N+](=O)[O-])N2CCCC2)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 C23H25N5O4S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O4S/c1-14-11-16(12-18-21(29)24(3)23(33)25(4)22(18)30)15(2)27(14)17-7-8-19(20(13-17)28(31)32)26-9-5-6-10-26/h7-8,11-13H,5-6,9-10H2,1-4H3InChIKey
WEDYZNDWIBOYGS-UHFFFAOYSA-NSynonyms
5((25dimethyl1(3nitro4(pyrrolidin1yl)phenyl)1Hpyrrol3yl)methylidene)13dimethyl2thioxodihydropyrimidine46(1H5H)dione
5((25dimethyl1(3nitro4pyrrolidin1ylphenyl)pyrrol3yl)methylidene)13dimethyl2sulfanylidene13diazinane46dione
CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCC3)(N+)(=O)(O))C)C=C4C(=O)N(C(=S)N(C4=O)C)C
CN1C(=S)N(C)C(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)(N+)(=O)(O))N2CCCC2)C)C1=O
InChI=1SC23H25N5O4Sc1141116(121821(29)24(3)23(33)25(4)22(18)30)15(2)27(14)177819(20(1317)28(31)32)269561026h781113H56910H214H3
MFCD03928663
ZINC000059109589
ZINC59109589
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