Vitas-M small molecule compound

Catalog ID
STK571340
SMILES CCC([C@@H](C(=O)N/N=C/C1=Cc2c(OC1)cccc2)NC(=O)OC(C)(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 C21H29N3O4 MW 387.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O4/c1-6-14(2)18(23-20(26)28-21(3,4)5)19(25)24-22-12-15-11-16-9-7-8-10-17(16)27-13-15/h7-12,14,18H,6,13H2,1-5H3,(H,23,26)(H,24,25)/b22-12+/t14?,18-/m0/s1
InChIKey
QGGMQELUNZEODX-XXUJMTPBSA-N
Synonyms
1173667-38-3
((S)1(1(2HCHROMEN3YL)METH(E)YLIDENEHYDRAZINOCARBONYL)2METHYLBUTYL)CARBAMICACIDTERTBUTYLESTER
1173667383
CCC((C@@H)(C(=O)NN=CC1=Cc2c(OC1)cccc2)NC(=O)OC(C)(C)C)C
CCC(C)C(C(=O)NN=CC1=CC2=CC=CC=C2OC1)NC(=O)OC(C)(C)C
InChI=1SC21H29N3O4c1614(2)18(2320(26)2821(34)5)19(25)2422121511169781017(16)271315h7121418H613H215H3(H2326)(H2425)b2212+t14?18m0s1
MFCD04031112
tertbutyl((2S3S)1((E)2((2Hchromen3yl)methylene)hydrazinyl)3methyl1oxopentan2yl)carbamate
tertbutylN((2S)1((2E)2(2Hchromen3ylmethylidene)hydrazinyl)3methyl1oxopentan2yl)carbamate
ZINC000002394063
ZINC000013110749

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.