Vitas-M small molecule compound
3-(3-chloro-2-methylphenyl)-2-sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK439661
SMILES Clc1cccc(c1C)n1c(S)nc2c(c1=O)c1CCCCCCc1s2
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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 C19H19ClN2OS2 MW 390.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2OS2/c1-11-13(20)8-6-9-14(11)22-18(23)16-12-7-4-2-3-5-10-15(12)25-17(16)21-19(22)24/h6,8-9H,2-5,7,10H2,1H3,(H,21,24)InChIKey
GBRKXROVXFALCQ-UHFFFAOYSA-NSynonyms
3(3chloro2methylphenyl)2sulfanyl5678910hexahydrocycloocta(45)thieno(23d)pyrimidin4(3H)one
3(3chloro2methylphenyl)2sulfanylidene5678910hexahydro1Hcycloocta(23)thieno(24b)pyrimidin4one
CC1=C(C=CC=C1Cl)N2C(=O)C3=C(NC2=S)SC4=C3CCCCCC4
InChI=1SC19H19ClN2OS2c11113(20)86914(11)2218(23)1612742351015(12)2517(16)2119(22)24h689H25710H21H3(H2124)
MFCD03945914
ZINC000017079864
ZINC17079864
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