Vitas-M small molecule compound
N-ethyl-4-[3-(2-methylpropyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]piperazine-1-carbothioamide
Catalog ID
STK634677
SMILES CCNC(=S)N1CCN(CC1)c1nc2sc3c(c2c(=O)n1CC(C)C)CCCC3
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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 C21H31N5OS2 MW 433.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N5OS2/c1-4-22-21(28)25-11-9-24(10-12-25)20-23-18-17(19(27)26(20)13-14(2)3)15-7-5-6-8-16(15)29-18/h14H,4-13H2,1-3H3,(H,22,28)InChIKey
DTLVVGPMZPADTO-UHFFFAOYSA-NSynonyms
1010873-73-01010873730
CCNC(=S)N1CCN(CC1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC(C)C
InChI=1SC21H31N5OS2c142221(28)2511924(101225)20231817(19(27)26(20)1314(2)3)15756816(15)2918h14H413H213H3(H2228)
MFCD12202016
Nethyl4(3(2methylpropyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)piperazine1carbothioamide
Nethyl4(3(2methylpropyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)piperazine1carbothioamide
Nethyl4(3isobutyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)piperazine1carbothioamide
ZINC000012390426
ZINC12390426
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