Vitas-M small molecule compound

1,2-bis(propylsulfonyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]pyrrolo[2,1-a]isoquinoline-3-carbohydrazide

Catalog ID
STK673440
SMILES CCCS(=O)(=O)c1c(C(=O)N/N=C/c2cc(OC)c(c(c2)OC)OC)n2c(c1S(=O)(=O)CCC)c1ccccc1cc2

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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 C29H33N3O8S2 MW 615.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O8S2/c1-6-14-41(34,35)27-24-21-11-9-8-10-20(21)12-13-32(24)25(28(27)42(36,37)15-7-2)29(33)31-30-18-19-16-22(38-3)26(40-5)23(17-19)39-4/h8-13,16-18H,6-7,14-15H2,1-5H3,(H,31,33)/b30-18+
InChIKey
AEFQVRCIBQKMSI-UXHLAJHPSA-N
Synonyms

12bis(propylsulfonyl)N((E)(345trimethoxyphenyl)methylidene)pyrrolo(21a)isoquinoline3carbohydrazide
12bis(propylsulfonyl)N((E)(345trimethoxyphenyl)methylideneamino)pyrrolo(21a)isoquinoline3carboxamide
12BIS(PROPYLSULFONYL)N(345TRIMETHOXYBENZYLIDENE)PYRROLO(21A)ISOQUINOLINE3CARBOHYDRAZIDE
CCCS(=O)(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1S(=O)(=O)CCC)C(=O)NN=CC4=CC(=C(C(=C4)OC)OC)OC
CCCS(=O)(=O)c1c(C(=O)NN=Cc2cc(OC)c(c(c2)OC)OC)n2c(c1S(=O)(=O)CCC)c1ccccc1cc2
InChI=1SC29H33N3O8S2c161441(3435)27242111981020(21)121332(24)25(28(27)42(3637)1572)29(33)313018191622(383)26(405)23(1719)394h8131618H671415H215H3(H3133)b3018+
MFCD01152796
ZINC000008405899
ZINC102778289

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Available files

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