Vitas-M small molecule compound

methyl 4-[7-chloro-3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate

Catalog ID
STL345022
SMILES COC(=O)c1ccc(cc1)C1N(c2nncs2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)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 C21H12ClN3O5S MW 453.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12ClN3O5S/c1-29-20(28)11-4-2-10(3-5-11)16-15-17(26)13-8-12(22)6-7-14(13)30-18(15)19(27)25(16)21-24-23-9-31-21/h2-9,16H,1H3
InChIKey
UCGUNBKZRGAMCE-UHFFFAOYSA-N
Synonyms
632308-92-0
632308920
COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NN=CS4)OC5=C(C3=O)C=C(C=C5)Cl
InChI=1SC21H12ClN3O5Sc12920(28)114210(3511)161517(26)13812(22)6714(13)3018(15)19(27)25(16)21242393121h2916H1H3
methyl4(7chloro39dioxo2(134thiadiazol2yl)1239tetrahydrochromeno(23c)pyrrol1yl)benzoate
METHYL4(7CHLORO39DIOXO2(134THIADIAZOL2YL)1HCHROMENO(23C)PYRROL1YL)BENZOATE
MFCD04183479
ZINC000002377857
ZINC000002377858

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Available files

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