Vitas-M small molecule compound
2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STL079623
SMILES COc1cc(CCNC(=O)CSc2nc3sc(c(c3c(=O)[nH]2)C)C(=O)O)ccc1OC
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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 C20H21N3O6S2 MW 463.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O6S2/c1-10-15-17(25)22-20(23-18(15)31-16(10)19(26)27)30-9-14(24)21-7-6-11-4-5-12(28-2)13(8-11)29-3/h4-5,8H,6-7,9H2,1-3H3,(H,21,24)(H,26,27)(H,22,23,25)InChIKey
NOJQPMCZFCNKEJ-UHFFFAOYSA-NSynonyms
2((2((2(34dimethoxyphenyl)ethyl)amino)2oxoethyl)sulfanyl)5methyl4oxo34dihydrothieno(23d)pyrimidine6carboxylicacid
2((N(2(34DIMETHOXYPHENYL)ETHYL)CARBAMOYL)METHYLTHIO)5METHYL4OXO3HYDROTHIOPHENO(23D)PYRIMIDINE6CARBOXYLICACID
2(2(2(34DIMETHOXYPHENYL)ETHYLAMINO)2OXOETHYL)SULFANYL5METHYL4OXO3HTHIENO(23D)PYRIMIDINE6CARBOXYLICACID
CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)O
COc1cc(CCNC(=O)CSc2nc3sc(c(c3c(=O)(nH)2)C)C(=O)O)ccc1OC
InChI=1SC20H21N3O6S2c1101517(25)2220(2318(15)3116(10)19(26)27)30914(24)2176114512(282)13(811)293h458H679H213H3(H2124)(H2627)(H222325)
MFCD05841209
ZINC000002586453
ZINC2586453
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