Vitas-M small molecule compound
N-[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanoyl]tryptophan
Catalog ID
STL476301
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CCn1c(=O)sc2c1cccc2
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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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c25-19(9-10-24-17-7-3-4-8-18(17)29-21(24)28)23-16(20(26)27)11-13-12-22-15-6-2-1-5-14(13)15/h1-8,12,16,22H,9-11H2,(H,23,25)(H,26,27)InChIKey
NYVNTMSXKLAYRO-UHFFFAOYSA-NSynonyms
(R)3(1Hindol3yl)2(3(2oxobenzo(d)thiazol3(2H)yl)propanamido)propanoicacid
3(1Hindol3yl)2(3(2oxo13benzothiazol3yl)propanoylamino)propanoicacid
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCN3C4=CC=CC=C4SC3=O
InChI=1SC21H19N3O4Sc2519(9102417734818(17)2921(24)28)2316(20(26)27)1113122215621514(13)15h18121622H911H2(H2325)(H2627)
MFCD31751351
N(3(2oxo13benzothiazol3(2H)yl)propanoyl)tryptophan
O=C(N(C@@H)(C(=O)O)Cc1c(nH)c2c1cccc2)CCn1c(=O)sc2c1cccc2
O=C(NC(C(=O)O)Cc1c(nH)c2c1cccc2)CCn1c(=O)sc2c1cccc2
ZINC000217758521
ZINC000334162090
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