Vitas-M small molecule compound
N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(pyridin-3-ylmethyl)valinamide
Catalog ID
STL438779
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1cccnc1)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 C26H31N5O3S MW 493.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O3S/c1-17(2)24(25(33)30-21-8-10-22(34-5)11-9-21)31(15-20-7-6-12-27-14-20)23(32)16-35-26-28-18(3)13-19(4)29-26/h6-14,17,24H,15-16H2,1-5H3,(H,30,33)InChIKey
SHAXLAKMNRVQFT-UHFFFAOYSA-NSynonyms
2((2((46DIMETHYL2PYRIMIDINYL)SULFANYL)ACETYL)(3PYRIDINYLMETHYL)AMINO)N(4METHOXYPHENYL)3METHYLBUTANAMIDE
2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)(PYRIDIN3YLMETHYL)AMINO)N(4METHOXYPHENYL)3METHYLBUTANAMIDE
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C(C(C)C)C(=O)NC3=CC=C(C=C3)OC)C
InChI=1SC26H31N5O3Sc117(2)24(25(33)302181022(345)11921)31(15207612271420)23(32)1635262818(3)1319(4)2926h6141724H1516H215H3(H3033)
MFCD06243892
N~2~(((46dimethylpyrimidin2yl)sulfanyl)acetyl)N(4methoxyphenyl)N~2~(pyridin3ylmethyl)valinamide
ZINC000001407853
ZINC000001407856
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