Vitas-M small molecule compound

(2S)-2-{[({4-[({[(1S)-1-carboxy-2-methylpropyl]carbamoyl}amino)methyl]phenyl}sulfonyl)carbamoyl]amino}-3-methylbutanoic acid (non-preferred name)

Catalog ID
STK571464
SMILES O=C(N[C@H](C(=O)O)C(C)C)NCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@H](C(=O)O)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 C19H28N4O8S MW 472.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28N4O8S/c1-10(2)14(16(24)25)21-18(28)20-9-12-5-7-13(8-6-12)32(30,31)23-19(29)22-15(11(3)4)17(26)27/h5-8,10-11,14-15H,9H2,1-4H3,(H,24,25)(H,26,27)(H2,20,21,28)(H2,22,23,29)/t14-,15-/m0/s1
InChIKey
GIRZSOICQMUWHA-GJZGRUSLSA-N
Synonyms
1013887-64-3
(2S)2((((4(((((1S)1carboxy2methylpropyl)carbamoyl)amino)methyl)phenyl)sulfonyl)carbamoyl)amino)3methylbutanoicacid(nonpreferredname)
(2S)2((4(((1S)1carboxy2methylpropyl)carbamoylsulfamoyl)phenyl)methylcarbamoylamino)3methylbutanoicacid
(S)2(3(4(N(((S)1carboxy2methylpropyl)carbamoyl)sulfamoyl)benzyl)ureido)3methylbutanoicacid
1013887643
CC(C)C(C(=O)O)NC(=O)NCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(C(C)C)C(=O)O
InChI=1SC19H28N4O8Sc110(2)14(16(24)25)2118(28)209125713(8612)32(3031)2319(29)2215(11(3)4)17(26)27h5810111415H9H214H3(H2425)(H2627)(H2202128)(H2222329)t1415m0s1
MFCD18245412
O=C(N(C@H)(C(=O)O)C(C)C)NCc1ccc(cc1)S(=O)(=O)NC(=O)N(C@H)(C(=O)O)C(C)C
ZINC000020503717
ZINC20503717

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Available files

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