Vitas-M small molecule compound
2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Catalog ID
STK740199
SMILES N#CC1=C(S)N(C(NC1=O)c1ccc(o1)c1ccc(cc1Cl)[N+](=O)[O-])c1ccccc1
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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 C21H13ClN4O4S MW 452.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN4O4S/c22-16-10-13(26(28)29)6-7-14(16)17-8-9-18(30-17)19-24-20(27)15(11-23)21(31)25(19)12-4-2-1-3-5-12/h1-10,19,31H,(H,24,27)InChIKey
UURIDEGFMHPWLW-UHFFFAOYSA-NSynonyms
500194-76-32(5(2CHLORO4NITROPHENYL)(2FURYL))6OXO3PHENYL4SULFANYL123TRIHYDROPYRIMIDINE5CARBONITRILE
2(5(2chloro4nitrophenyl)furan2yl)4oxo1phenyl6sulfanyl1234tetrahydropyrimidine5carbonitrile
2(5(2chloro4nitrophenyl)furan2yl)6mercapto4oxo1phenyl1234tetrahydropyrimidine5carbonitrile
2(5(2CHLORO4NITROPHENYL)FURAN2YL)6OXO3PHENYL4SULFANYL12DIHYDROPYRIMIDINE5CARBONITRILE
500194763
C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=C(C=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC21H13ClN4O4Sc22161013(26(28)29)6714(16)178918(3017)192420(27)15(1123)21(31)25(19)124213512h1101931H(H2427)
MFCD03304810
N#CC1=C(S)N(C(NC1=O)c1ccc(o1)c1ccc(cc1Cl)(N+)(=O)(O))c1ccccc1
ZINC000002360378
ZINC000002360380
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