Vitas-M small molecule compound
2-tert-butyl 4-methyl 3-methyl-5-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}thiophene-2,4-dicarboxylate
Catalog ID
STL287032
SMILES COC(=O)c1c(NC(=O)Cn2c(=O)oc3c2cccc3)sc(c1C)C(=O)OC(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 C21H22N2O7S MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O7S/c1-11-15(18(25)28-5)17(31-16(11)19(26)30-21(2,3)4)22-14(24)10-23-12-8-6-7-9-13(12)29-20(23)27/h6-9H,10H2,1-5H3,(H,22,24)InChIKey
PPKYNPSYCVTBGW-UHFFFAOYSA-NSynonyms
2Otertbutyl4Omethyl3methyl5((2(2oxo13benzoxazol3yl)acetyl)amino)thiophene24dicarboxylate
2tertbutyl4methyl3methyl5(((2oxo13benzoxazol3(2H)yl)acetyl)amino)thiophene24dicarboxylate
CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C3=CC=CC=C3OC2=O)C(=O)OC(C)(C)C
InChI=1SC21H22N2O7Sc11115(18(25)285)17(3116(11)19(26)3021(23)4)2214(24)102312867913(12)2920(23)27h69H10H215H3(H2224)
MFCD24847368
ZINC000095481762
ZINC95481762
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