Vitas-M small molecule compound
N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-beta-alanine
Catalog ID
STK599578
SMILES OC(=O)CCNC(=O)[C@H](C(C)C)NC(=O)c1cc2c(n1C)ccc(c2)Cl
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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 C18H22ClN3O4 MW 379.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22ClN3O4/c1-10(2)16(18(26)20-7-6-15(23)24)21-17(25)14-9-11-8-12(19)4-5-13(11)22(14)3/h4-5,8-10,16H,6-7H2,1-3H3,(H,20,26)(H,21,25)(H,23,24)/t16-/m0/s1InChIKey
NPKILNSHPQKQNJ-INIZCTEOSA-NSynonyms
1173660-37-1(S)3(2(5chloro1methyl1Hindole2carboxamido)3methylbutanamido)propanoicacid
1173660371
3(((2S)2((5CHLORO1METHYLINDOLE2CARBONYL)AMINO)3METHYLBUTANOYL)AMINO)PROPANOICACID
CC(C)C(C(=O)NCCC(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl
InChI=1SC18H22ClN3O4c110(2)16(18(26)207615(23)24)2117(25)14911812(19)4513(11)22(14)3h4581016H67H213H3(H2026)(H2125)(H2324)t16m0s1
MFCD06772354
N((5chloro1methyl1Hindol2yl)carbonyl)Lvalylbetaalanine
OC(=O)CCNC(=O)(C@H)(C(C)C)NC(=O)c1cc2c(n1C)ccc(c2)Cl
ZINC000005206222
ZINC5206222
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