Vitas-M small molecule compound

N-methyl-4-[2-({(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)ethyl]piperazine-1-carbothioamide

Catalog ID
STL149131
SMILES CNC(=S)N1CCN(CC1)CCN/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C)S

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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 C20H26N6O2S2 MW 446.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N6O2S2/c1-14-3-5-15(6-4-14)26-18(28)16(17(27)23-20(26)30)13-22-7-8-24-9-11-25(12-10-24)19(29)21-2/h3-6,13,22H,7-12H2,1-2H3,(H,21,29)(H,23,27,30)/b16-13+
InChIKey
SHSGXDVRWFMKJJ-DTQAZKPQSA-N
Synonyms

CC1=CC=C(C=C1)N2C(=O)C(=CNCCN3CCN(CC3)C(=S)NC)C(=O)NC2=S
CNC(=S)N1CCN(CC1)CCNC=C1C(=O)N=C(N(C1=O)c1ccc(cc1)C)S
InChI=1SC20H26N6O2S2c1143515(6414)2618(28)16(17(27)2320(26)30)1322782491125(121024)19(29)212h361322H712H212H3(H2129)(H232730)b1613+
MFCD04077794
Nmethyl4(2(((E)(1(4methylphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)ethyl)piperazine1carbothioamide
NMETHYL4(2(((E)(1(4METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)ETHYL)PIPERAZINE1CARBOTHIOAMIDE
ZINC000020436329
ZINC20436329

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Available files

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