Vitas-M small molecule compound
N-tert-butyl-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Catalog ID
STK297706
SMILES COc1ccc(cc1)CC(=O)NCc1nnc(n1CC)SC(C(=O)NC(C)(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 C21H31N5O3S MW 433.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N5O3S/c1-7-26-17(13-22-18(27)12-15-8-10-16(29-6)11-9-15)24-25-20(26)30-14(2)19(28)23-21(3,4)5/h8-11,14H,7,12-13H2,1-6H3,(H,22,27)(H,23,28)InChIKey
NHVARSREJJQXHV-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SC(C)C(=O)NC(C)(C)C)CNC(=O)CC2=CC=C(C=C2)OC
InChI=1SC21H31N5O3Sc172617(132218(27)121581016(296)11915)242520(26)3014(2)19(28)2321(34)5h81114H71213H216H3(H2227)(H2328)
MFCD09877348
Ntertbutyl2((4ethyl5((((4methoxyphenyl)acetyl)amino)methyl)4H124triazol3yl)sulfanyl)propanamide
Ntertbutyl2((4ethyl5(((2(4methoxyphenyl)acetyl)amino)methyl)124triazol3yl)sulfanyl)propanamide
NTERTBUTYL2(4ETHYL5((2(4METHOXYPHENYL)ACETYLAMINO)METHYL)4H(124)TRIAZOL3YLSULFANYL)PROPIONAMIDE
ZINC000013956551
ZINC000013956553
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