Vitas-M small molecule compound
N-[(2Z)-5-cyclobutyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STL151808
SMILES COc1ccc(cc1)C1N(C)C(=O)c2c(C1C(=O)/N=c\1/[nH]nc(s1)C1CCC1)cccc2
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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 C24H24N4O3S MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S/c1-28-20(14-10-12-16(31-2)13-11-14)19(17-8-3-4-9-18(17)23(28)30)21(29)25-24-27-26-22(32-24)15-6-5-7-15/h3-4,8-13,15,19-20H,5-7H2,1-2H3,(H,25,27,29)InChIKey
VHHVYHPRQBNETH-UHFFFAOYSA-NSynonyms
1282123-46-91282123469
CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=NN=C(S3)C4CCC4)C5=CC=C(C=C5)OC
COc1ccc(cc1)C1N(C)C(=O)c2c(C1C(=O)N=c1(nH)nc(s1)C1CCC1)cccc2
InChI=1SC24H24N4O3Sc12820(14101216(312)131114)19(17834918(17)23(28)30)21(29)2524272622(3224)1565715h34813151920H57H212H3(H252729)
MFCD20756122
N((2Z)5cyclobutyl134thiadiazol2(3H)ylidene)3(4methoxyphenyl)2methyl1oxo1234tetrahydroisoquinoline4carboxamide
N(5cyclobutyl134thiadiazol2yl)3(4methoxyphenyl)2methyl1oxo34dihydroisoquinoline4carboxamide
ZINC000061720864
ZINC000061720867
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