Vitas-M small molecule compound

N-(2-cyanoethyl)-N-[(5-{(E)-[1-(3,4-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)methyl]methanesulfonamide

Catalog ID
STL367743
SMILES N#CCCN(S(=O)(=O)C)Cc1ccc(o1)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(c(c1)Cl)Cl

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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 C20H16Cl2N4O5S2 MW 527.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2N4O5S2/c1-33(29,30)25(8-2-7-23)11-14-5-4-13(31-14)10-15-18(27)24-20(32)26(19(15)28)12-3-6-16(21)17(22)9-12/h3-6,9-10H,2,8,11H2,1H3,(H,24,27,32)/b15-10+
InChIKey
WWQVQEAUCKSSRM-XNTDXEJSSA-N
Synonyms

CS(=O)(=O)N(CCC#N)CC1=CC=C(O1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC20H16Cl2N4O5S2c133(2930)25(82723)11145413(3114)101518(27)2420(32)26(19(15)28)123616(21)17(22)912h36910H2811H21H3(H242732)b1510+
MFCD03083426
N#CCCN(S(=O)(=O)C)Cc1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)c1ccc(c(c1)Cl)Cl
N(2CYANOETHYL)N((5((1(34DICHLOROPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2FURYL)METHYL)METHANESULFONAMIDE
N(2CYANOETHYL)N((5((E)(1(34DICHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)METHYL)METHANESULFONAMIDE
N(2cyanoethyl)N((5((E)(1(34dichlorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)methyl)methanesulfonamide
ZINC000002177514
ZINC02177514
ZINC2177514

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Available files

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