Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-2-methyl-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Catalog ID
STK943698
SMILES COc1ccc(cc1OC)C1N(C)C(=O)c2c(C1C(=O)/N=c\1/[nH]nc(s1)C)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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-12-24-25-22(31-12)23-20(27)18-14-7-5-6-8-15(14)21(28)26(2)19(18)13-9-10-16(29-3)17(11-13)30-4/h5-11,18-19H,1-4H3,(H,23,25,27)InChIKey
XMGPLZJACSPEHF-UHFFFAOYSA-NSynonyms
1219563-54-81219563548
3(34dimethoxyphenyl)2methylN((2Z)5methyl134thiadiazol2(3H)ylidene)1oxo1234tetrahydroisoquinoline4carboxamide
3(34dimethoxyphenyl)2methylN(5methyl134thiadiazol2yl)1oxo34dihydroisoquinoline4carboxamide
CC1=NN=C(S1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC(=C(C=C4)OC)OC
COc1ccc(cc1OC)C1N(C)C(=O)c2c(C1C(=O)N=c1(nH)nc(s1)C)cccc2
InChI=1SC22H22N4O4Sc112242522(3112)2320(27)1814756815(14)21(28)26(2)19(18)1391016(293)17(1113)304h5111819H14H3(H232527)
MFCD18180469
ZINC000040286155
ZINC000040286161
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