Vitas-M small molecule compound
3-(furan-2-ylmethyl)-2-[(1-hydroxybutan-2-yl)amino]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK589162
SMILES CCC(Nc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3)CO
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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 C20H25N3O3S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S/c1-2-13(12-24)21-20-22-18-17(15-8-4-3-5-9-16(15)27-18)19(25)23(20)11-14-7-6-10-26-14/h6-7,10,13,24H,2-5,8-9,11-12H2,1H3,(H,21,22)InChIKey
XAROBMPHWQTQAE-UHFFFAOYSA-NSynonyms
900288-95-13(furan2ylmethyl)2((1hydroxybutan2yl)amino)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3(furan2ylmethyl)2((1hydroxybutan2yl)amino)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
3(furan2ylmethyl)2(1hydroxybutan2ylamino)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
900288951
CCC(CO)NC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CO4
InChI=1SC20H25N3O3Sc1213(1224)2120221817(158435916(15)2718)19(25)23(20)111476102614h67101324H25891112H21H3(H2122)
MFCD06612770
ZINC000002359650
ZINC000002359651
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