Vitas-M small molecule compound
N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-2-methyl-N~2~-(2-methylbenzyl)-N-[4-(morpholin-4-yl)phenyl]alaninamide
Catalog ID
STL446212
SMILES O=C(N(C(C(=O)Nc1ccc(cc1)N1CCOCC1)(C)C)Cc1ccccc1C)CSc1nc(C)cc(n1)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 C30H37N5O3S MW 547.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N5O3S/c1-21-8-6-7-9-24(21)19-35(27(36)20-39-29-31-22(2)18-23(3)32-29)30(4,5)28(37)33-25-10-12-26(13-11-25)34-14-16-38-17-15-34/h6-13,18H,14-17,19-20H2,1-5H3,(H,33,37)InChIKey
ZSJMTROUMXLZLK-UHFFFAOYSA-NSynonyms
2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2METHYLPHENYL)METHYL)AMINO)2METHYLN(4MORPHOLIN4YLPHENYL)PROPANAMIDE
2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(2METHYLBENZYL)ACETAMIDO)2METHYLN(4MORPHOLINOPHENYL)PROPANAMIDE
CC1=CC=CC=C1CN(C(=O)CSC2=NC(=CC(=N2)C)C)C(C)(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4
InChI=1SC30H37N5O3Sc121867924(21)1935(27(36)2039293122(2)1823(3)3229)30(45)28(37)3325101226(131125)34141638171534h61318H14171920H215H3(H3337)
MFCD06243551
N~2~(((46dimethylpyrimidin2yl)sulfanyl)acetyl)2methylN~2~(2methylbenzyl)N(4(morpholin4yl)phenyl)alaninamide
N2(((46DIMETHYLPYRIMIDIN2YL)SULFANYL)ACETYL)2METHYLN2(2METHYLBENZYL)N(4(MORPHOLIN4YL)PHENYL)ALANINAMIDE
ZINC000008694479
ZINC8694479
Check stock
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Check stock on Vitas-MAvailable files
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