Vitas-M small molecule compound
Nalpha-{[(2R)-3,3-dimethyl-4,4-dioxido-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyl}-N-(3-methoxybenzyl)-L-tryptophanamide
Catalog ID
STL531432
SMILES COc1cccc(c1)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]1N2C(=O)CC2S(=O)(=O)C1(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 C27H30N4O6S MW 538.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O6S/c1-27(2)24(31-22(32)13-23(31)38(27,35)36)26(34)30-21(12-17-15-28-20-10-5-4-9-19(17)20)25(33)29-14-16-7-6-8-18(11-16)37-3/h4-11,15,21,23-24,28H,12-14H2,1-3H3,(H,29,33)(H,30,34)/t21-,23?,24+/m0/s1InChIKey
SQAOLRBNCHCBJD-FYFGAKMPSA-NSynonyms
956980-89-5(2~(R))~(N)((2~(S))3(1~(H)indol3yl)1((3methoxyphenyl)methylamino)1oxopropan2yl)33dimethyl447trioxo4$l^(6)thia1azabicyclo(320)heptane2carboxamide
(2R)N((S)3(1Hindol3yl)1((3methoxybenzyl)amino)1oxopropan2yl)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxamide44dioxide
16405796
956980895
COc1cccc(c1)CNC(=O)(C@H)(Cc1c(nH)c2c1cccc2)NC(=O)(C@H)1N2C(=O)CC2S(=O)(=O)C1(C)C
InChI=1SC27H30N4O6Sc127(2)24(3122(32)1323(31)38(2735)36)26(34)3021(12171528201054919(17)20)25(33)29141676818(1116)373h4111521232428H1214H213H3(H2933)(H3034)t2123?24+m0s1
Nalpha(((2R)33dimethyl44dioxido7oxo4thia1azabicyclo(320)hept2yl)carbonyl)N(3methoxybenzyl)Ltryptophanamide
ZINC000070705744
ZINC000070705747
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