Vitas-M small molecule compound
5-[({5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]-6-methylpyrimidine-2,4(1H,3H)-dione
Catalog ID
STL051622
SMILES O=c1[nH]c(C)c(c(=O)[nH]1)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N
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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 C18H18N6O3S MW 398.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N6O3S/c1-9-12(15(25)22-17(26)21-9)8-28-18-24-23-16(27-18)13(19)6-10-7-20-14-5-3-2-4-11(10)14/h2-5,7,13,20H,6,8,19H2,1H3,(H2,21,22,25,26)/t13-/m0/s1InChIKey
WLAWHHMFHGLSTN-ZDUSSCGKSA-NSynonyms
(S)5(((5(1amino2(1Hindol3yl)ethyl)134oxadiazol2yl)thio)methyl)6methylpyrimidine24(1H3H)dionehydrochloride
5(((5((1S)1amino2(1Hindol3yl)ethyl)134oxadiazol2yl)sulfanyl)methyl)6methylpyrimidine24(1H3H)dione
5((5((1S)1AMINO2(1HINDOL3YL)ETHYL)134OXADIAZOL2YL)SULFANYLMETHYL)6METHYL1HPYRIMIDINE24DIONE
CC1=C(C(=O)NC(=O)N1)CSC2=NN=C(O2)C(CC3=CNC4=CC=CC=C43)N
InChI=1SC18H18N6O3Sc1912(15(25)2217(26)219)82818242316(2718)13(19)61072014532411(10)14h2571320H6819H21H3(H221222526)t13m0s1
MFCD04010610
O=c1(nH)c(C)c(c(=O)(nH)1)CSc1nnc(o1)(C@H)(Cc1c(nH)c2c1cccc2)N
O=c1(nH)c(C)c(c(=O)(nH)1)CSc1nnc(o1)(C@H)(Cc1c(nH)c2c1cccc2)NCl
ZINC000002359316
ZINC2359316
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.