Vitas-M small molecule compound
methyl 4-[({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Catalog ID
STL444001
SMILES C=CCn1c(CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1SCc1ccc(cc1)C(=O)OC
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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 C29H26N4O4S MW 526.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O4S/c1-3-16-32-24(30-31-29(32)38-18-19-12-14-21(15-13-19)28(36)37-2)11-6-17-33-26(34)22-9-4-7-20-8-5-10-23(25(20)22)27(33)35/h3-5,7-10,12-15H,1,6,11,16-18H2,2H3InChIKey
XNLYVVGLMPCCMZ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC29H26N4O4Sc13163224(303129(32)381819121421(151319)28(36)372)116173326(34)2294720851023(25(20)22)27(33)35h357101215H16111618H22H3
methyl4(((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)methyl)benzoate
methyl4((5(3(13dioxobenzo(de)isoquinolin2yl)propyl)4prop2enyl124triazol3yl)sulfanylmethyl)benzoate
MFCD02249466
ZINC000100976112
ZINC100976112
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