Vitas-M small molecule compound
{[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetic acid
Catalog ID
STL304458
SMILES CSc1nc(SCC(=O)O)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)N1CCOCC1
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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 C21H24N4O4S3 MW 492.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4S3/c1-21(2)8-11-12(9-29-21)17(25-4-6-28-7-5-25)23-18-14(11)15-16(32-18)19(31-10-13(26)27)24-20(22-15)30-3/h4-10H2,1-3H3,(H,26,27)InChIKey
WOYVCKYJHMOCIM-UHFFFAOYSA-NSynonyms
847162-22-5((22dimethyl10(methylsulfanyl)5(morpholin4yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)aceticacid
2((22dimethyl10(methylthio)5morpholino24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)aceticacid
847162225
CC1(CC2=C3C4=C(C(=NC(=N4)SC)SCC(=O)O)SC3=NC(=C2CO1)N5CCOCC5)C
InChI=1SC21H24N4O4S3c121(2)81112(92921)17(2546287525)231814(11)1516(3218)19(311013(26)27)2420(2215)303h410H213H3(H2627)
MFCD04183007
ZINC000002368146
ZINC2368146
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