Vitas-M small molecule compound
2-{[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoic acid
Catalog ID
STK532644
SMILES OC(=O)C(Sc1nc2sc3c(c2c(=O)n1c1ccccc1C)CC(OC3)(C)C)C
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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 C21H22N2O4S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S2/c1-11-7-5-6-8-14(11)23-18(24)16-13-9-21(3,4)27-10-15(13)29-17(16)22-20(23)28-12(2)19(25)26/h5-8,12H,9-10H2,1-4H3,(H,25,26)InChIKey
BQPIUDNWFGGBRQ-UHFFFAOYSA-NSynonyms
2((66dimethyl3(2methylphenyl)4oxo3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)propanoicacid
2((66dimethyl3(2methylphenyl)4oxo58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)propanoicacid
2((66dimethyl4oxo3(otolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)propanoicacid
CC1=CC=CC=C1N2C(=O)C3=C(N=C2SC(C)C(=O)O)SC4=C3CC(OC4)(C)C
InChI=1SC21H22N2O4S2c111756814(11)2318(24)1613921(34)271015(13)2917(16)2220(23)2812(2)19(25)26h5812H910H214H3(H2526)
MFCD02986912
ZINC000002355613
ZINC000002355614
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