Vitas-M small molecule compound
S-(2-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}-2-oxoethyl) sulfurothioate
Catalog ID
STL231866
SMILES COc1ccc2c(c1)c(CCNC(=O)CSS(=O)(=O)[O-])c[nH]2
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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 C13H15N2O5S2 MW 343.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O5S2/c1-20-10-2-3-12-11(6-10)9(7-15-12)4-5-14-13(16)8-21-22(17,18)19/h2-3,6-7,15H,4-5,8H2,1H3,(H,14,16)(H,17,18,19)/p-1InChIKey
DUXDNTYQYSVZHR-UHFFFAOYSA-MSynonyms
5METHOXY3(2((2SULFONATOSULFANYLACETYL)AMINO)ETHYL)1HINDOLE
COC1=CC2=C(C=C1)NC=C2CCNC(=O)CSS(=O)(=O)(O)
COc1ccc2c(c1)c(CCNC(=O)CSS(=O)(=O)(O))c(nH)2
COc1ccc2c(c1)c(CCNC(=O)CSS(=O)(=O)(O))c(nH)2(Na+)
InChI=1SC13H16N2O5S2c12010231211(610)9(71512)451413(16)82122(1718)19h236715H458H21H3(H1416)(H171819)p1
MFCD00845899
S(2((2(5methoxy1Hindol3yl)ethyl)amino)2oxoethyl)sulfurothioate
sodiumS(2((2(5methoxy1Hindol3yl)ethyl)amino)2oxoethyl)sulfothioate
ZINC000002023887
ZINC02023887
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