Vitas-M small molecule compound
N-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbonyl}-L-valyl-beta-alanine
Catalog ID
STL532288
SMILES OC(=O)CCNC(=O)[C@H](C(C)C)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2
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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 C21H27N3O7 MW 433.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O7/c1-12(2)19(21(29)22-6-5-18(26)27)23-20(28)13-9-17(25)24(11-13)14-3-4-15-16(10-14)31-8-7-30-15/h3-4,10,12-13,19H,5-9,11H2,1-2H3,(H,22,29)(H,23,28)(H,26,27)/t13?,19-/m0/s1InChIKey
QDUWSBZPFHRXMS-YFKXAPIDSA-NSynonyms
956946-84-216403611
3(((2~(S))2((1(23dihydro14benzodioxin6yl)5oxopyrrolidine3carbonyl)amino)3methylbutanoyl)amino)propanoicacid
3((2S)2(1(23dihydrobenzo(b)(14)dioxin6yl)5oxopyrrolidine3carboxamido)3methylbutanamido)propanoicacid
956946842
InChI=1SC21H27N3O7c112(2)19(21(29)226518(26)27)2320(28)13917(25)24(1113)14341516(1014)31873015h3410121319H5911H212H3(H2229)(H2328)(H2627)t13?19m0s1
MFCD06764774
N((1(23dihydro14benzodioxin6yl)5oxopyrrolidin3yl)carbonyl)Lvalylbetaalanine
OC(=O)CCNC(=O)(C@H)(C(C)C)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2
ZINC000008789949
ZINC000012880930
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