Vitas-M small molecule compound
methyl 4-ethyl-2-[({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)amino]-5-methylthiophene-3-carboxylate
Catalog ID
STK456146
SMILES COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)Nc1sc(c(c1C(=O)OC)CC)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 C21H23N5O5S3 MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O5S3/c1-5-15-12(2)33-19(18(15)20(27)31-4)25-21(32)24-13-6-8-14(9-7-13)34(28,29)26-16-10-17(30-3)23-11-22-16/h6-11H,5H2,1-4H3,(H,22,23,26)(H2,24,25,32)InChIKey
RVZYJZUPAJXXTO-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC=N3)OC)C
InChI=1SC21H23N5O5S3c151512(2)3319(18(15)20(27)314)2521(32)24136814(9713)34(2829)26161017(303)23112216h611H5H214H3(H222326)(H2242532)
METHYL4ETHYL2((((4(((6METHOXYPYRIMIDIN4YL)AMINO)SULFONYL)PHENYL)AMINO)THIOXOMETHYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
methyl4ethyl2(((4((6methoxypyrimidin4yl)sulfamoyl)phenyl)carbamothioyl)amino)5methylthiophene3carboxylate
METHYL4ETHYL2((4((6METHOXYPYRIMIDIN4YL)SULFAMOYL)PHENYL)CARBAMOTHIOYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
MFCD05990586
ZINC000013081218
ZINC13081218
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