Vitas-M small molecule compound
4-(2-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}ethyl)-N-phenylpiperazine-1-carbothioamide
Catalog ID
STK143071
SMILES CN1C(=O)N(C)C(=O)C(=CNCCN2CCN(CC2)C(=S)Nc2ccccc2)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 C20H26N6O3S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N6O3S/c1-23-17(27)16(18(28)24(2)20(23)29)14-21-8-9-25-10-12-26(13-11-25)19(30)22-15-6-4-3-5-7-15/h3-7,14,21H,8-13H2,1-2H3,(H,22,30)InChIKey
NXKXELQVEZWJCS-UHFFFAOYSA-NSynonyms
13DIMETHYL5(((2(4((PHENYLAMINO)THIOXOMETHYL)PIPERAZINYL)ETHYL)AMINO)METHYLENE)13DIHYDROPYRIMIDINE246TRIONE
4(2(((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)AMINO)ETHYL)NPHENYLPIPERAZINE1CARBOTHIOAMIDE
4(2((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYLAMINO)ETHYL)NPHENYLPIPERAZINE1CARBOTHIOAMIDE
CN1C(=O)C(=CNCCN2CCN(CC2)C(=S)NC3=CC=CC=C3)C(=O)N(C1=O)C
InChI=1SC20H26N6O3Sc12317(27)16(18(28)24(2)20(23)29)14218925101226(131125)19(30)22156435715h371421H813H212H3(H2230)
MFCD01447780
ZINC000019771141
ZINC19771141
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